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CHEBI:172725 - Methyl 3b-hydroxy-13(18)-oleanen-28-oate

Default Structure
ChEBI IDCHEBI:172725
ChEBI NameMethyl 3b-hydroxy-13(18)-oleanen-28-oate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H52O4
Net Charge0
Average Mass512.775
Monoisotopic Mass512.38656
SMILESCOC(=O)C12CCC(C)(C)CC1=C1CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CCC3(C)C1(C)CC2
InChIInChI=1S/C33H52O4/c1-21(34)37-26-13-14-30(6)24(29(26,4)5)12-15-32(8)25(30)11-10-22-23-20-28(2,3)16-18-33(23,27(35)36-9)19-17-31(22,32)7/h24-26H,10-20H2,1-9H3
InChIKeyVNBZCSKDIGCTNO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Methyl 3b-hydroxy-13(18)-oleanen-28-oate (CHEBI:172725) is a triterpenoid (CHEBI:36615)
IUPAC Name 
methyl 10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14-tetradecahydropicene-4a-carboxylate
Manual XrefsDatabases
35013892ChemSpider
HMDB0035267HMDB