CHEBI:212470 - 24-hydroxyolean-12-ene-3, 22-dione

ChEBI IDCHEBI:212470
ChEBI Name24-hydroxyolean-12-ene-3, 22-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O3
Net Charge0
Average Mass454.695
Monoisotopic Mass454.34470
SMILESCC1(C)CC(=O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
InChIInChI=1S/C30H46O3/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/h8,20-22,31H,9-18H2,1-7H3/t20-,21+,22+,26+,27-,28+,29+,30+/m0/s1
InChIKeyAKFPPARWAOGYCP-QMTZRBPCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1248/cpb.32.1287)
ChEBI Ontology
Outgoing Relation(s)
24-hydroxyolean-12-ene-3, 22-dione (CHEBI:212470) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(4S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,4a,5,6,7,8,10,12,12a,14,14a-dodecahydropicene-3,9-dione
Manual XrefsDatabases
33823649ChemSpider