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CHEBI:188033 - 2,3,23-Triacetylsericic acid

Default Structure
ChEBI IDCHEBI:188033
ChEBI Name2,3,23-Triacetylsericic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H54O9
Net Charge0
Average Mass630.819
Monoisotopic Mass630.37678
SMILESCC(=O)OCC1(C)C(OC(C)=O)C(OC(C)=O)CC2(C)C1CCC1(C)C2CC=C2C3C(O)C(C)(C)CCC3(C(=O)O)CCC21C
InChIInChI=1S/C36H54O9/c1-20(37)43-19-33(7)25-12-13-35(9)26(32(25,6)18-24(44-21(2)38)29(33)45-22(3)39)11-10-23-27-28(40)31(4,5)14-16-36(27,30(41)42)17-15-34(23,35)8/h10,24-29,40H,11-19H2,1-9H3,(H,41,42)
InChIKeyYZUXOBYCNWIMKP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
2,3,23-Triacetylsericic acid (CHEBI:188033) is a triterpenoid (CHEBI:36615)
IUPAC Name 
10,11-diacetyloxy-9-(acetyloxymethyl)-1-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Manual XrefsDatabases
35013725ChemSpider
HMDB0034503HMDB