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CHEBI:206616 - 15alpha,22beta,24-trihydroxyolean-11,13-diene-3-one

Default Structure
ChEBI IDCHEBI:206616
ChEBI Name15alpha,22beta,24-trihydroxyolean-11,13-diene-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O5
Net Charge0
Average Mass486.693
Monoisotopic Mass486.33452
SMILESCC1(C)CC(=O)[C@]2(C)C[C@H](O)[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2C[C@H](O)[C@]13C
InChIInChI=1S/C30H46O5/c1-25(2)13-18-17-8-9-19-26(3)11-10-21(32)28(5,16-31)20(26)12-22(33)30(19,7)29(17,6)24(35)15-27(18,4)23(34)14-25/h8-9,19-22,24,31-33,35H,10-16H2,1-7H3/t19-,20-,21+,22+,24+,26-,27-,28-,29+,30+/m1/s1
InChIKeyJKCYUXGTNPNNTD-XWZNUEKDSA-N
Species of MetaboliteComponentSourceComments
Scopulariopsisspecies (ncbitaxon:2006378) - PubMed (27932272)
ChEBI Ontology
Outgoing Relation(s)
15alpha,22beta,24-trihydroxyolean-11,13-diene-3-one (CHEBI:206616) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(4aR,6S,6aR,6aR,6bR,7S,8aR,9S,10S,12aS)-6,7,10-trihydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-3,5,6,6a,7,8,8a,10,11,12-decahydro-1H-picen-4-one
Manual XrefsDatabases
60958477ChemSpider