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

ChEBI IDCHEBI:69433
ChEBI Nameβ-sitosterol 3-O-acetate
Stars
ASCII Namebeta-sitosterol 3-O-acetate
DefinitionA 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.
Last Modified14 January 2014
DownloadsMolfile
FormulaC31H52O2
Net Charge0
Average Mass456.755
Monoisotopic Mass456.39673
SMILES[H][C@@]12CC=C3C[C@@H](OC(C)=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CC[C@@H](CC)C(C)C
InChIInChI=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
InChIKeyPBWOIPCULUXTNY-LBKBYZTLSA-N
Species of MetaboliteComponentSourceComments
Cordyceps sinensis (ncbitaxon:72228) mycelium (BTO:0001436) PubMed (21848266) EtOH extract of dried mycelia, mixture of beta-sitosterol 3-O-acetate and stigmasterol 3-O-acetate
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
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  Source
3β-acetoxystigmast-5-eneChEBI
β-sitosteryl acetateHMDB
β-sitosterol acetateHMDB
Manual XrefsDatabases
HMDB0030151HMDB
Registry NumbersSources
Reaxys:1916957Reaxys
CAS:915-05-9ChemIDplus
Citations