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CHEBI:206610 - 3beta,7beta,15alpha,24-tetrahydroxyolean-12-ene-11,22-dione

Default Structure
ChEBI IDCHEBI:206610
ChEBI Name3beta,7beta,15alpha,24-tetrahydroxyolean-12-ene-11,22-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O6
Net Charge0
Average Mass502.692
Monoisotopic Mass502.32944
SMILESCC1(C)CC(=O)[C@]2(C)C[C@H](O)[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5C[C@H](O)[C@]43C)[C@@H]2C1
InChIInChI=1S/C30H46O6/c1-25(2)12-17-16-10-18(32)24-26(3)9-8-20(33)28(5,15-31)19(26)11-21(34)30(24,7)29(16,6)23(36)14-27(17,4)22(35)13-25/h10,17,19-21,23-24,31,33-34,36H,8-9,11-15H2,1-7H3/t17-,19+,20-,21-,23-,24+,26-,27+,28+,29-,30+/m0/s1
InChIKeyMPNSFABMYBSINH-DAZNLTMZSA-N
Species of MetaboliteComponentSourceComments
Scopulariopsisspecies (ncbitaxon:2006378) - PubMed (27932272)
ChEBI Ontology
Outgoing Relation(s)
3beta,7beta,15alpha,24-tetrahydroxyolean-12-ene-11,22-dione (CHEBI:206610) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(4aR,6S,6aR,6aR,6bR,7S,8aR,9S,10S,12aS,14bS)-6,7,10-trihydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,3,5,6,6a,7,8,8a,10,11,12,14b-dodecahydropicene-4,13-dione
Manual XrefsDatabases
60958476ChemSpider