CHEBI:50481 - bayogenin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name bayogenin
ChEBI ID CHEBI:50481
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H48O5
Net Charge 0
Average Mass 488.69912
Monoisotopic Mass 488.35017
InChI InChI=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
InChIKey RWNHLTKFBKYDOJ-JEERONPWSA-N
SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O
ChEBI Ontology
Outgoing bayogenin (CHEBI:50481) has parent hydride oleanane (CHEBI:36481)
bayogenin (CHEBI:50481) is a pentacyclic triterpenoid (CHEBI:25872)
Incoming bayogenin 3-O-cellobioside (CHEBI:2999) has functional parent bayogenin (CHEBI:50481)
IUPAC Name
2β,3β,23-trihydroxyolean-12-en-28-oic acid
Synonyms Sources
(2beta,3beta,4alpha)-2,3,23-trihydroxyolean-12-en-28-oic acid ChemIDplus
2β,23-dihydroxyoleanolic acid ChEBI
Registry Numbers Types Sources
2712722 Beilstein Registry Number Beilstein
6989-24-8 CAS Registry Number ChemIDplus
Last Modified
15 August 2008