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CHEBI:179068 - alpha-Amyrin acetate

Default Structure
ChEBI IDCHEBI:179068
ChEBI Namealpha-Amyrin acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H52O2
Net Charge0
Average Mass468.766
Monoisotopic Mass468.39673
SMILES[H][C@]12CC=C3[C@@](C)(CC[C@@]4(C)CC[C@@H](C)[C@H](C)[C@@]34[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](OC(C)=O)CC[C@]21C
InChIInChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h10,20-21,24-27H,11-19H2,1-9H3/t20-,21+,24+,25-,26+,27+,29-,30+,31-,32-/m1/s1
InChIKeyUDXDFWBZZQHDRO-NSTYLNEOSA-N
ChEBI Ontology
Outgoing Relation(s)
alpha-Amyrin acetate (CHEBI:179068) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
Manual XrefsDatabases
83811ChemSpider
Registry NumbersSources
CAS:863-76-3ChemIDplus