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CHEBI:71576 - 30-hydroxy-11-oxo-β-amyrin

ChEBI IDCHEBI:71576
ChEBI Name30-hydroxy-11-oxo-β-amyrin
Stars
ASCII Name30-hydroxy-11-oxo-beta-amyrin
DefinitionA pentacyclic triterpenoid that is β-amyrin carrying an additional hydroxy substituent at position 30 as well as an oxo group at position 11.
Last Modified17 January 2013
SubmitterKAX
DownloadsMolfile
FormulaC30H48O3
Net Charge0
Average Mass456.711
Monoisotopic Mass456.36035
SMILES[H][C@]12C(=O)C=C3[C@]4([H])C[C@@](C)(CO)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H48O3/c1-25(2)22-8-11-30(7)24(28(22,5)10-9-23(25)33)21(32)16-19-20-17-26(3,18-31)12-13-27(20,4)14-15-29(19,30)6/h16,20,22-24,31,33H,8-15,17-18H2,1-7H3/t20-,22-,23-,24+,26-,27+,28-,29+,30+/m0/s1
InChIKeyJCGXIYQLRYPHDG-DQOTWGJISA-N
ChEBI Ontology
Outgoing Relation(s)
30-hydroxy-11-oxo-β-amyrin (CHEBI:71576) has functional parent β-amyrin (CHEBI:10352)
30-hydroxy-11-oxo-β-amyrin (CHEBI:71576) is a cyclic terpene ketone (CHEBI:36130)
30-hydroxy-11-oxo-β-amyrin (CHEBI:71576) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
3β,30-dihydroxyolean-12-en-11-one
Synonyms  Source
(3β)-3,30-dihydroxyolean-12-en-11-oneChEBI
glycyrrhetolChEBI
olean-12-en-11-oxo-3β,30-diolChEBI
UniProt Name  Source
30-hydroxy-11-oxo-β-amyrinUniProt
Manual XrefsDatabases
CPD-13670MetaCyc
Registry NumbersSources
Reaxys:3123280Reaxys
Citations