Sorbitan, Trioctadecanoate

Type: Neutral molecule
CAS: 26658-19-5
EC: 247-891-4
Origin: EF 3.1 hybrid_name_cas_v1
Changes: 55 across every transformer

This substance carries 7 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Admul S 65K
Arlacel 65
Armotan TS
Crill 35
Emasol O 30
Emasol S 30(F)
Emasol S 30V
Famodan TS
Glycomul TS
Glycomul TS-K
Grindsted STS 30
Kosteran S 3G
Liposorb TS
Montane 65
Nikkol SS 30
Nikkol SS 30V
Poem S 65F
Poem S 65V
Protachem STS
Rheodol SP-S 30
Rheodol SP-S 30V
S-Maz 65K
Sorbax STS
Sorbester 65
Sorbitan trioctadecanoate
Sorbitan, tristearate
Stearic acid triester with sorbitan
Sunsoft 63T
Sunsoft 65T

Property	Value
InChI2D key string chemrof:inchi2d_key_string	HWKVXMKNXIZHLF-LLPUSWRMSA-N, HWKVXMKNXIZHLF-LLWMLCJQSA-N, IDGUCWCSGWRLPK-UHFFFAOYSA-N, IJCWFDPJFXGQBN-RYNSOKOISA-N, OIPULUQKRXSPPS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-52-54(61)59-60(68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(53-66-59)67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-61H,4-53H2,1-3H3, InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-53-55(67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-59(54(61)52-66-60)68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h54-55,59-61H,4-53H2,1-3H3, InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-53-55(67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-59(54(61)52-66-60)68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h54-55,59-61H,4-53H2,1-3H3/t54-,55+,59+,60+/m0/s1, InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)66-54(52-61)59-60(68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(53-65-59)67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-61H,4-53H2,1-3H3, InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)66-54(52-61)59-60(68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(53-65-59)67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-61H,4-53H2,1-3H3/t54-,55+,59-,60-/m0/s1, InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)66-54(52-61)59-60(68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(53-65-59)67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-61H,4-53H2,1-3H3/t54-,55+,59-,60-/m1/s1, InChI=1S/C60H116O9/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(63)67-52-54(61)59(66)60(69-58(65)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(62)53-68-57(64)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-62,66H,4-53H2,1-3H3
Isomeric SMILES string chemrof:isomeric_smiles_string	CCCCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC, CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1CO[C@H]([C@H]1OC(=O)CCCCCCCCCCCCCCCCC)[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC, CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CO[C@@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCCCC)[C@@H](CO)OC(=O)CCCCCCCCCCCCCCCCC
IUPAC name chemrof:IUPAC_name	[(2R)-2-[(2R,3R,4S)-4-hydroxy-3-octadecanoyloxy-tetrahydrofuran-2-yl]-2-octadecanoyloxy-ethyl] octadecanoate, [(2R)-2-[(2R,3R,4S)-4-hydroxy-3-octadecanoyloxyoxolan-2-yl]-2-octadecanoyloxyethyl] octadecanoate, [(2R)-2-octadecanoyloxy-2-[(2R,3R,4S)-3-octadecanoyloxy-4-oxidanyl-oxolan-2-yl]ethyl] octadecanoate, [(3R,4S,5S)-4-octadecanoyloxy-5-[(1S)-1-octadecanoyloxy-2-oxidanyl-ethyl]oxolan-3-yl] octadecanoate, [(3R,4S,5S)-5-[(1S)-2-hydroxy-1-octadecanoyloxy-ethyl]-4-octadecanoyloxy-tetrahydrofuran-3-yl] octadecanoate, [(3R,4S,5S)-5-[(1S)-2-hydroxy-1-octadecanoyloxyethyl]-4-octadecanoyloxyoxolan-3-yl] octadecanoate, [(3S,4R,5R)-4-octadecanoyloxy-5-[(1R)-1-octadecanoyloxy-2-oxidanyl-ethyl]oxolan-3-yl] octadecanoate, [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-octadecanoyloxy-ethyl]-4-octadecanoyloxy-tetrahydrofuran-3-yl] octadecanoate, [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-octadecanoyloxyethyl]-4-octadecanoyloxyoxolan-3-yl] octadecanoate, [2,3,5-trihydroxy-4,6-di(octadecanoyloxy)hexyl] octadecanoate, [2-(4-hydroxy-3-octadecanoyloxy-tetrahydrofuran-2-yl)-2-octadecanoyloxy-ethyl] octadecanoate, [2-(4-hydroxy-3-octadecanoyloxyoxolan-2-yl)-2-octadecanoyloxyethyl] octadecanoate, [2-[3,4-di(octadecanoyloxy)oxolan-2-yl]-2-hydroxyethyl] octadecanoate, [2-[3,4-di(octadecanoyloxy)oxolan-2-yl]-2-oxidanyl-ethyl] octadecanoate, [2-[3,4-di(octadecanoyloxy)tetrahydrofuran-2-yl]-2-hydroxy-ethyl] octadecanoate, [2-octadecanoyloxy-2-(3-octadecanoyloxy-4-oxidanyl-oxolan-2-yl)ethyl] octadecanoate, [4,6-di(octadecanoyloxy)-2,3,5-tris(oxidanyl)hexyl] octadecanoate, octadecanoic acid [(2R)-2-[(2R,3R,4S)-4-hydroxy-3-(1-oxooctadecoxy)-2-oxolanyl]-2-(1-oxooctadecoxy)ethyl] ester, octadecanoic acid [(3R,4S,5S)-5-[(1S)-2-hydroxy-1-(1-oxooctadecoxy)ethyl]-4-(1-oxooctadecoxy)-3-oxolanyl] ester, octadecanoic acid [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-(1-oxooctadecoxy)ethyl]-4-(1-oxooctadecoxy)-3-oxolanyl] ester, octadecanoic acid [2,3,5-trihydroxy-4,6-bis(1-oxooctadecoxy)hexyl] ester, octadecanoic acid [2-[3,4-bis(1-oxooctadecoxy)-2-oxolanyl]-2-hydroxyethyl] ester, octadecanoic acid [2-[4-hydroxy-3-(1-oxooctadecoxy)-2-oxolanyl]-2-(1-oxooctadecoxy)ethyl] ester, stearic acid (2,3,5-trihydroxy-4,6-distearoyloxy-hexyl) ester, stearic acid [(2R)-2-[(2R,3R,4S)-4-hydroxy-3-stearoyloxy-tetrahydrofuran-2-yl]-2-stearoyloxy-ethyl] ester, stearic acid [(3R,4S,5S)-5-[(1S)-2-hydroxy-1-stearoyloxy-ethyl]-4-stearoyloxy-tetrahydrofuran-3-yl] ester, stearic acid [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-stearoyloxy-ethyl]-4-stearoyloxy-tetrahydrofuran-3-yl] ester, stearic acid [2-(3,4-distearoyloxytetrahydrofuran-2-yl)-2-hydroxy-ethyl] ester, stearic acid [2-(4-hydroxy-3-stearoyloxy-tetrahydrofuran-2-yl)-2-stearoyloxy-ethyl] ester
Molecular formula chemrof:molecular_formula	C60H114O8, C60H116O9
SMILES string chemrof:smiles_string	CCCCCCCCCCCCCCCCCC(=O)OC(CO)C1OCC(OC(=O)CCCCCCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCCCCCC, CCCCCCCCCCCCCCCCCC(=O)OCC(C(C(C(COC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC)O)O, CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)C1OCC(O)C1OC(=O)CCCCCCCCCCCCCCCCC, CCCCCCCCCCCCCCCCCC(=O)OCC(C1C(C(CO1)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=26658-19-5	enrich_references.consensus_cas_link
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:185339	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.043.523	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID8047054	enrich_references.pubchem_identifier_url
drugbank.ca	https://www.drugbank.ca/drugs/DB20134	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6LUM696811	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0029890	enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov	https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C75658	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/11320591	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/133109110	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/15181202	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/17800859	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/18392204	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/73555665	enrich_references.pubchem_compound
rxnav.nlm.nih.gov	https://rxnav.nlm.nih.gov/id/rxnorm/1426397	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Sorbitan_tristearate	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
aee225c9-9899-431a-b374-ad075a560430	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
78c269e7-7c79-483e-894e-148a09628e75	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
13a8ec5b-2361-4947-a473-8c27c8cc3041	Environmental → Air → Indoor	EF 3.1	kg	4
322c0a4e-2d90-4692-a7f4-96d588eb4c1a	Environmental → Air → Long-term	EF 3.1	kg	0
fbf0edac-1f2c-416a-adcd-d172333fae72	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
add559d3-b332-4b13-acb0-4a46c2d4497b	Environmental → Air → Unknown	EF 3.1	kg	4
8e32398e-c286-4296-a861-f6875654925d	Environmental → Ground → Agricultural	EF 3.1	kg	4
e036f923-0fee-4da3-89bf-572663d46824	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
b5a39f4a-2676-4806-8b79-3ff58a515642	Environmental → Ground → Unknown	EF 3.1	kg	4
e32f6085-f6b4-492a-b803-a148fceb1177	Environmental → Water → Long-term	EF 3.1	kg	0
92ca4263-2d54-4351-9a71-dd227687015c	Environmental → Water → Ocean	EF 3.1	kg	4
1d8a8196-19f2-4170-8293-dac42c4fd9ec	Environmental → Water → Surface water	EF 3.1	kg	4
78eff063-cc7a-4501-96ab-d5d9de47e044	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-c86cbd3acef00b25",
  "prefLabel": [
    {
      "@value": "Sorbitan, Trioctadecanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Admul S 65K",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26658-19-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26658-19-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Arlacel 65",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26658-19-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26658-19-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Armotan TS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26658-19-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26658-19-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Crill 35",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26658-19-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Emasol O 30",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Emasol S 30(F)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:26658-19-5",
          "EF 3.1",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Emasol S 30V",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:26658-19-5",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Famodan TS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26658-19-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26658-19-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycomul TS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26658-19-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26658-19-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycomul TS-K",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:26658-19-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26658-19-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Grindsted STS 30",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26658-19-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26658-19-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Kosteran S 3G",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Liposorb TS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26658-19-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26658-19-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Montane 65",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26658-19-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26658-19-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nikkol SS 30",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26658-19-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26658-19-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nikkol SS 30V",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26658-19-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Poem S 65F",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=26658-19-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Poem S 65V",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26658-19-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26658-19-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Protachem STS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26658-19-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26658-19-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Rheodol SP-S 30",
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      "@value": "Rheodol SP-S 30V",
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      "@value": "S-Maz 65K",
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        "InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)66-54(52-61)59-60(68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(53-65-59)67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-61H,4-53H2,1-3H3",
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        "InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)66-54(52-61)59-60(68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(53-65-59)67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-61H,4-53H2,1-3H3/t54-,55+,59-,60-/m1/s1",
        "InChI=1S/C60H116O9/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(63)67-52-54(61)59(66)60(69-58(65)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(62)53-68-57(64)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-62,66H,4-53H2,1-3H3"
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      "rdfs:label": "InChI",
      "provenance": [
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            "CCCCCCCCCCCCCCCCCC(=O)OC1COC(C1OC(=O)CCCCCCCCCCCCCCCCC)C(CO)OC(=O)CCCCCCCCCCCCCCCCC"
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        },
        {
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      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "[(2R)-2-[(2R,3R,4S)-4-hydroxy-3-octadecanoyloxy-tetrahydrofuran-2-yl]-2-octadecanoyloxy-ethyl] octadecanoate",
        "[(2R)-2-[(2R,3R,4S)-4-hydroxy-3-octadecanoyloxyoxolan-2-yl]-2-octadecanoyloxyethyl] octadecanoate",
        "[(2R)-2-octadecanoyloxy-2-[(2R,3R,4S)-3-octadecanoyloxy-4-oxidanyl-oxolan-2-yl]ethyl] octadecanoate",
        "[(3R,4S,5S)-4-octadecanoyloxy-5-[(1S)-1-octadecanoyloxy-2-oxidanyl-ethyl]oxolan-3-yl] octadecanoate",
        "[(3R,4S,5S)-5-[(1S)-2-hydroxy-1-octadecanoyloxy-ethyl]-4-octadecanoyloxy-tetrahydrofuran-3-yl] octadecanoate",
        "[(3R,4S,5S)-5-[(1S)-2-hydroxy-1-octadecanoyloxyethyl]-4-octadecanoyloxyoxolan-3-yl] octadecanoate",
        "[(3S,4R,5R)-4-octadecanoyloxy-5-[(1R)-1-octadecanoyloxy-2-oxidanyl-ethyl]oxolan-3-yl] octadecanoate",
        "[(3S,4R,5R)-5-[(1R)-2-hydroxy-1-octadecanoyloxy-ethyl]-4-octadecanoyloxy-tetrahydrofuran-3-yl] octadecanoate",
        "[(3S,4R,5R)-5-[(1R)-2-hydroxy-1-octadecanoyloxyethyl]-4-octadecanoyloxyoxolan-3-yl] octadecanoate",
        "[2,3,5-trihydroxy-4,6-di(octadecanoyloxy)hexyl] octadecanoate",
        "[2-(4-hydroxy-3-octadecanoyloxy-tetrahydrofuran-2-yl)-2-octadecanoyloxy-ethyl] octadecanoate",
        "[2-(4-hydroxy-3-octadecanoyloxyoxolan-2-yl)-2-octadecanoyloxyethyl] octadecanoate",
        "[2-[3,4-di(octadecanoyloxy)oxolan-2-yl]-2-hydroxyethyl] octadecanoate",
        "[2-[3,4-di(octadecanoyloxy)oxolan-2-yl]-2-oxidanyl-ethyl] octadecanoate",
        "[2-[3,4-di(octadecanoyloxy)tetrahydrofuran-2-yl]-2-hydroxy-ethyl] octadecanoate",
        "[2-octadecanoyloxy-2-(3-octadecanoyloxy-4-oxidanyl-oxolan-2-yl)ethyl] octadecanoate",
        "[4,6-di(octadecanoyloxy)-2,3,5-tris(oxidanyl)hexyl] octadecanoate",
        "octadecanoic acid [(2R)-2-[(2R,3R,4S)-4-hydroxy-3-(1-oxooctadecoxy)-2-oxolanyl]-2-(1-oxooctadecoxy)ethyl] ester",
        "octadecanoic acid [(3R,4S,5S)-5-[(1S)-2-hydroxy-1-(1-oxooctadecoxy)ethyl]-4-(1-oxooctadecoxy)-3-oxolanyl] ester",
        "octadecanoic acid [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-(1-oxooctadecoxy)ethyl]-4-(1-oxooctadecoxy)-3-oxolanyl] ester",
        "octadecanoic acid [2,3,5-trihydroxy-4,6-bis(1-oxooctadecoxy)hexyl] ester",
        "octadecanoic acid [2-[3,4-bis(1-oxooctadecoxy)-2-oxolanyl]-2-hydroxyethyl] ester",
        "octadecanoic acid [2-[4-hydroxy-3-(1-oxooctadecoxy)-2-oxolanyl]-2-(1-oxooctadecoxy)ethyl] ester",
        "stearic acid (2,3,5-trihydroxy-4,6-distearoyloxy-hexyl) ester",
        "stearic acid [(2R)-2-[(2R,3R,4S)-4-hydroxy-3-stearoyloxy-tetrahydrofuran-2-yl]-2-stearoyloxy-ethyl] ester",
        "stearic acid [(3R,4S,5S)-5-[(1S)-2-hydroxy-1-stearoyloxy-ethyl]-4-stearoyloxy-tetrahydrofuran-3-yl] ester",
        "stearic acid [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-stearoyloxy-ethyl]-4-stearoyloxy-tetrahydrofuran-3-yl] ester",
        "stearic acid [2-(3,4-distearoyloxytetrahydrofuran-2-yl)-2-hydroxy-ethyl] ester",
        "stearic acid [2-(4-hydroxy-3-stearoyloxy-tetrahydrofuran-2-yl)-2-stearoyloxy-ethyl] ester"
      ],
      "attested_by": {
        "[(2R)-2-[(2R,3R,4S)-4-hydroxy-3-octadecanoyloxy-tetrahydrofuran-2-yl]-2-octadecanoyloxy-ethyl] octadecanoate": [
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        ],
        "[(2R)-2-[(2R,3R,4S)-4-hydroxy-3-octadecanoyloxyoxolan-2-yl]-2-octadecanoyloxyethyl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[(2R)-2-octadecanoyloxy-2-[(2R,3R,4S)-3-octadecanoyloxy-4-oxidanyl-oxolan-2-yl]ethyl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[(3R,4S,5S)-4-octadecanoyloxy-5-[(1S)-1-octadecanoyloxy-2-oxidanyl-ethyl]oxolan-3-yl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[(3R,4S,5S)-5-[(1S)-2-hydroxy-1-octadecanoyloxy-ethyl]-4-octadecanoyloxy-tetrahydrofuran-3-yl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[(3R,4S,5S)-5-[(1S)-2-hydroxy-1-octadecanoyloxyethyl]-4-octadecanoyloxyoxolan-3-yl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[(3S,4R,5R)-4-octadecanoyloxy-5-[(1R)-1-octadecanoyloxy-2-oxidanyl-ethyl]oxolan-3-yl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[(3S,4R,5R)-5-[(1R)-2-hydroxy-1-octadecanoyloxy-ethyl]-4-octadecanoyloxy-tetrahydrofuran-3-yl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[(3S,4R,5R)-5-[(1R)-2-hydroxy-1-octadecanoyloxyethyl]-4-octadecanoyloxyoxolan-3-yl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[2,3,5-trihydroxy-4,6-di(octadecanoyloxy)hexyl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[2-(4-hydroxy-3-octadecanoyloxy-tetrahydrofuran-2-yl)-2-octadecanoyloxy-ethyl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
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          "enrich_references.pubchem_semantic"
        ],
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          "enrich_references.pubchem_semantic"
        ],
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          "enrich_references.pubchem_semantic"
        ],
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          "enrich_references.pubchem_semantic"
        ],
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          "enrich_references.pubchem_semantic"
        ],
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          "enrich_references.pubchem_semantic"
        ],
        "octadecanoic acid [(2R)-2-[(2R,3R,4S)-4-hydroxy-3-(1-oxooctadecoxy)-2-oxolanyl]-2-(1-oxooctadecoxy)ethyl] ester": [
          "enrich_references.pubchem_semantic"
        ],
        "octadecanoic acid [(3R,4S,5S)-5-[(1S)-2-hydroxy-1-(1-oxooctadecoxy)ethyl]-4-(1-oxooctadecoxy)-3-oxolanyl] ester": [
          "enrich_references.pubchem_semantic"
        ],
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          "enrich_references.pubchem_semantic"
        ],
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          "enrich_references.pubchem_semantic"
        ],
        "octadecanoic acid [2-[3,4-bis(1-oxooctadecoxy)-2-oxolanyl]-2-hydroxyethyl] ester": [
          "enrich_references.pubchem_semantic"
        ],
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Sorbitan, Trioctadecanoate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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