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CHEBI:228344 - O-acetylpachymic acid-25-ol

Default Structure
ChEBI IDCHEBI:228344
ChEBI NameO-acetylpachymic acid-25-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H56O7
Net Charge0
Average Mass588.826
Monoisotopic Mass588.40260
SMILESCC(=O)OC1CC2(C)C3=C(CCC2(C)C1C(CCC(CO)C(C)C)C(=O)O)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3
InChIInChI=1S/C35H56O7/c1-20(2)23(19-36)10-11-24(31(39)40)30-27(41-21(3)37)18-35(9)26-12-13-28-32(5,6)29(42-22(4)38)15-16-33(28,7)25(26)14-17-34(30,35)8/h20,23-24,27-30,36H,10-19H2,1-9H3,(H,39,40)
InChIKeyCNQLQPORMXSDCY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
O-acetylpachymic acid-25-ol (CHEBI:228344) is a triterpenoid (CHEBI:36615)
IUPAC Name 
2-(3,16-diacetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-5-(hydroxymethyl)-6-methylheptanoic acid
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4475174ChemSpider