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CHEBI:9209 - soyasapogenol B

ChEBI IDCHEBI:9209
ChEBI Namesoyasapogenol B
Stars
DefinitionA pentacyclic triterpenoid that is oleanane containing a double bond between positions 12 and 13 and substituted by hydroxy groups at the 3β, 22β and 24-positions.
Last Modified28 July 2014
DownloadsMolfile
FormulaC30H50O3
Net Charge0
Average Mass458.727
Monoisotopic Mass458.37600
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)C[C@@H](O)[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O)[C@]1(C)CO
InChIInChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22+,23-,24+,26+,27-,28+,29+,30+/m0/s1
InChIKeyYOQAQNKGFOLRGT-UXXABWCISA-N
ChEBI Ontology
Outgoing Relation(s)
soyasapogenol B (CHEBI:9209) has parent hydride oleanane (CHEBI:36481)
soyasapogenol B (CHEBI:9209) is a pentacyclic triterpenoid (CHEBI:25872)
Incoming Relation(s)
soyasapogenol B 3-O-β-glucuronide (CHEBI:62439) has functional parent soyasapogenol B (CHEBI:9209)
soyasaponin I (CHEBI:9211) has functional parent soyasapogenol B (CHEBI:9209)
soyasaponin III (CHEBI:62867) has functional parent soyasapogenol B (CHEBI:9209)
IUPAC Name 
(3β,22β)-olean-12-ene-3,22,24-triol
Synonyms  Source
soyasapogenol-BChEBI
24-hydroxysophoradiolMetaCyc
UniProt Name  Source
soyasapogenol BUniProt
Manual XrefsDatabases
C08980KEGG COMPOUND
CPD-7610MetaCyc
WO0181612Patent
C00000256KNApSAcK
Registry NumbersSources
Reaxys:4911811Reaxys
CAS:595-15-3KEGG COMPOUND
CAS:595-15-3ChemIDplus
Citations