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CHEBI:175831 - Acetylursolic acid

Default Structure
ChEBI IDCHEBI:175831
ChEBI NameAcetylursolic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H50O4
Net Charge0
Average Mass498.748
Monoisotopic Mass498.37091
SMILES[H][C@]12CC=C3[C@@](C)(CC[C@@]4(C(=O)O)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/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1
InChIKeyPHFUCJXOLZAQNH-OTMOLZNZSA-N
ChEBI Ontology
Outgoing Relation(s)
Acetylursolic acid (CHEBI:175831) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
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