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CHEBI:190930 - beta-amyrin acetate

Default Structure
ChEBI IDCHEBI:190930
ChEBI Namebeta-amyrin acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H52O2
Net Charge0
Average Mass468.766
Monoisotopic Mass468.39673
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](OC(C)=O)CC[C@]21C
InChIInChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h10,23-26H,11-20H2,1-9H3/t23-,24-,25+,26-,29+,30-,31+,32+/m0/s1
InChIKeyUMRPOGLIBDXFNK-ZYGITSNFSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
beta-amyrin acetate (CHEBI:190930) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate
Manual XrefsDatabases
83201ChemSpider
Registry NumbersSources
CAS:1616-93-9ChemIDplus