Sucrose Acetate Isobutyrate

[(2R,3R,4S,5S)-5-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
Binester SAAB
Isobutyric acid, hexaester with sucrose diacetate
Saccharose acetate isobutyrate
SAIB
SAIB FG
Sucrose acetate isobutanoate
Sucrose acetoisobutyrate
Sucrose, diacetate hexaisobutyrate
Sustane SAIB MCT
Sustane SAIB-ET 10
α-D-Glucopyranoside, 6-O-acetyl-1,3,4-tris-O-(2-methyl-1-oxopropyl)-β-D-fructofuranosyl, 6-acetate 2,3,4-tris(2-methylpropanoate)

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	UVGUPMLLGBCFEJ-SWTLDUCYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C40H62O19/c1-18(2)33(43)50-16-27-29(54-35(45)20(5)6)32(57-38(48)23(11)12)40(58-27,17-51-25(14)42)59-39-31(56-37(47)22(9)10)30(55-36(46)21(7)8)28(53-34(44)19(3)4)26(52-39)15-49-24(13)41/h18-23,26-32,39H,15-17H2,1-14H3/t26-,27-,28-,29-,30+,31-,32+,39-,40+/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string	CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]2OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C
IUPAC name chemrof:IUPAC_name	[(2R,3R,4S,5S)-5-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
Molecular formula chemrof:molecular_formula	C40H62O19
Molecular mass chemrof:molecular_mass	846.917
Monoisotopic mass chemrof:monoisotopic_mass	846.38853
SMILES string chemrof:smiles_string	CC(=O)OCC1OC(OC2(COC(C)=O)OC(COC(=O)C(C)C)C(OC(=O)C(C)C)C2OC(=O)C(C)C)C(OC(=O)C(C)C)C(OC(=O)C(C)C)C1OC(=O)C(C)C

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=126-13-6	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:177717	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.004.338	enrich_references.pubchem_identifier_url
ChemSpider	https://www.chemspider.com/Chemical-Structure.29072.html	enrich_references.chebi_xrefs
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/H5KI1C3YTV	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0037136	enrich_references.chebi_xrefs
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=47627	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/31339	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q410537	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Sucrose_acetate_isobutyrate	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
e05123b2-57ad-4bbd-aaba-011a124c2ac9	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
b57f58a7-975e-4262-9b41-f706de0285ba	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
22f2e15d-00e3-4aa4-849b-7104d471570d	Environmental → Air → Indoor	EF 3.1	kg	4
6ea5ea10-c4d2-4187-a5dc-c51a10f25ffe	Environmental → Air → Long-term	EF 3.1	kg	0
2fae287d-8c27-4cf1-a6ef-3edcebb5bf63	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
aa3c48e0-5a94-42b5-9520-b3115a4a7f1c	Environmental → Air → Unknown	EF 3.1	kg	4
179257eb-e5b0-46d8-89a7-3b8434b265a5	Environmental → Ground → Agricultural	EF 3.1	kg	4
889fbecc-6796-4366-98b8-3df32e6e44b5	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
4aed7a98-ab1c-4fbf-93d7-5736a751738f	Environmental → Ground → Unknown	EF 3.1	kg	4
d942332c-98cf-4f9a-a4cd-32d55bf90b19	Environmental → Water → Long-term	EF 3.1	kg	0
5c79aed7-b817-4237-8a47-933698dea98c	Environmental → Water → Ocean	EF 3.1	kg	4
c1b4885c-a714-475a-b7cd-58be47353af3	Environmental → Water → Surface water	EF 3.1	kg	4
1092e67f-282c-4138-8db2-f54a193bf5dc	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

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Sucrose Acetate Isobutyrate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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