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CHEBI:176765 - Olean-12-ene-3,16,22,28-tetrol

Default Structure
ChEBI IDCHEBI:176765
ChEBI NameOlean-12-ene-3,16,22,28-tetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O4
Net Charge0
Average Mass474.726
Monoisotopic Mass474.37091
SMILES[H][C@]12CC=C3[C@@]4([H])CC(C)(C)C[C@H](O)[C@]4(CO)[C@H](O)C[C@@]3(C)[C@]1(C)CCC1C(C)(C)[C@@H](O)CC[C@@]12C
InChIInChI=1S/C30H50O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20?,21-,22+,23+,24-,27+,28-,29-,30-/m1/s1
InChIKeyCTNHZEZBBGIUJB-YSRXEMINSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
ChEBI Ontology
Outgoing Relation(s)
Olean-12-ene-3,16,22,28-tetrol (CHEBI:176765) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,6aR,6bS,8R,8aS,9S,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triol
Manual XrefsDatabases
4955211ChemSpider