CHEBI:69433 - β-sitosterol 3-O-acetate

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ChEBI Name β-sitosterol 3-O-acetate
ChEBI ID CHEBI:69433
ChEBI ASCII Name beta-sitosterol 3-O-acetate
Definition A steroid ester obtained by the formal condensation of the hydroxy group of β-sitosterol with acetic acid. It has been isolated from the mycelia of Cordyceps sinensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C31H52O2
Net Charge 0
Average Mass 456.74340
Monoisotopic Mass 456.39673
InChI InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
InChIKey PBWOIPCULUXTNY-LBKBYZTLSA-N
SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(C)C
Metabolite of Species Details
Cordyceps sinensis (NCBI:txid72228) Found in mycelium (BTO:0001436). EtOH extract of dried mycelia, mixture of beta-sitosterol 3-O-acetate and stigmasterol 3-O-acetate See: PubMed
Roles Classification
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing β-sitosterol 3-O-acetate (CHEBI:69433) has functional parent sitosterol (CHEBI:27693)
β-sitosterol 3-O-acetate (CHEBI:69433) has parent hydride stigmastane (CHEBI:26773)
β-sitosterol 3-O-acetate (CHEBI:69433) has role fungal metabolite (CHEBI:76946)
β-sitosterol 3-O-acetate (CHEBI:69433) has role plant metabolite (CHEBI:76924)
β-sitosterol 3-O-acetate (CHEBI:69433) is a acetate ester (CHEBI:47622)
β-sitosterol 3-O-acetate (CHEBI:69433) is a steroid ester (CHEBI:47880)
IUPAC Name
stigmast-5-en-3β-yl acetate
Synonyms Sources
3β-acetoxystigmast-5-ene ChEBI
β-sitosterol acetate HMDB
β-sitosteryl acetate HMDB
Manual Xref Database
HMDB0030151 HMDB
View more database links
Registry Numbers Types Sources
1916957 Reaxys Registry Number Reaxys
915-05-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11429262 PubMed citation Europe PMC
12774386 PubMed citation Europe PMC
16276968 PubMed citation Europe PMC
18831204 PubMed citation Europe PMC
21848266 PubMed citation Europe PMC
23016273 PubMed citation Europe PMC
Last Modified
14 January 2014