Consensus flow list

10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione

fo-97f30f23b8edaa6d

Identity

Type
NeutralMolecule
CAS
976-70-5
EC
213-552-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UWBICEKKOYXZRG-WNHSNXHDSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C22H30O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h13,16-18H,3-12H2,1-2H3
IUPAC name chemrof:IUPAC_name 10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione
Molecular formula chemrof:molecular_formula C22H30O3
Molecular mass chemrof:molecular_mass 342.479
Monoisotopic mass chemrof:monoisotopic_mass 342.219495
SMILES string chemrof:smiles_string CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC21CCC(=O)O1

Known URLs

10

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=976-70-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.321 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10875403 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL400534 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3N8TCN29OP enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J15.025H enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=144718 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/101931 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q25100811 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/SC-5233 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ac778b95-ed21-42e1-95f6-0f052bb8f5c1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
91d14bf5-1919-415b-8feb-4689cadba837 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
176b3ef7-fb51-47c6-adc2-9cf24e13388a Environmental → Air → Indoor EF 3.1 kg 2
5b242fba-2345-4c2b-b691-ca3591022571 Environmental → Air → Long-term EF 3.1 kg 0
823f2a83-b3bd-498a-85d6-277c5b7f3ad6 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
bd312bde-a2f5-4e62-800c-fc108addb46b Environmental → Air → Unknown EF 3.1 kg 2
5655e68f-a19c-4645-aaf1-7b2586f0561c Environmental → Ground → Agricultural EF 3.1 kg 2
45c2d354-1a52-4fb1-b9e2-f19a188ef236 Environmental → Ground → Non-agricultural EF 3.1 kg 2
ac68c50d-cd72-4e3a-a604-4f6f7426e51c Environmental → Ground → Unknown EF 3.1 kg 2
20020020-c148-48ea-b193-2760b4fddf5e Environmental → Water → Long-term EF 3.1 kg 0
eaaf2af6-4902-4794-99d0-ae3f6f2f747d Environmental → Water → Ocean EF 3.1 kg 2
bae1bc25-9b09-4c19-8eb8-7748fb575b70 Environmental → Water → Surface water EF 3.1 kg 2
4e4f4cf6-1652-468b-8bd0-9b2a054a6c30 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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