EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:50481 - bayogenin

ChEBI IDCHEBI:50481
ChEBI Namebayogenin
Stars
Last Modified15 August 2008
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC30H48O5
Net Charge0
Average Mass488.709
Monoisotopic Mass488.35017
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)C[C@H](O)[C@H](O)[C@@]1(C)CO
InChIInChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
InChIKeyRWNHLTKFBKYDOJ-JEERONPWSA-N
ChEBI Ontology
Outgoing Relation(s)
bayogenin (CHEBI:50481) has parent hydride oleanane (CHEBI:36481)
bayogenin (CHEBI:50481) is a pentacyclic triterpenoid (CHEBI:25872)
Incoming Relation(s)
bayogenin 3-O-cellobioside (CHEBI:2999) has functional parent bayogenin (CHEBI:50481)
IUPAC Name 
2β,3β,23-trihydroxyolean-12-en-28-oic acid
Synonyms  Source
2β,23-dihydroxyoleanolic acidChEBI
(2beta,3beta,4alpha)-2,3,23-trihydroxyolean-12-en-28-oic acidChemIDplus
Registry NumbersSources
Beilstein:2712722Beilstein
CAS:6989-24-8ChemIDplus