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CHEBI:175939 - (24E)-3alpha-Acetoxy-15alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid

Default Structure
ChEBI IDCHEBI:175939
ChEBI Name(24E)-3alpha-Acetoxy-15alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H46O6
Net Charge0
Average Mass526.714
Monoisotopic Mass526.32944
SMILESCC(=O)OC1CCC2(C)C3=CCC4(C)C(C(C)CC(=O)/C=C(/C)C(=O)O)CC(O)C4(C)C3=CCC2C1(C)C
InChIInChI=1S/C32H46O6/c1-18(15-21(34)16-19(2)28(36)37)24-17-26(35)32(8)23-9-10-25-29(4,5)27(38-20(3)33)12-13-30(25,6)22(23)11-14-31(24,32)7/h9,11,16,18,24-27,35H,10,12-15,17H2,1-8H3,(H,36,37)/b19-16-
InChIKeySUTMBPWDBAUJCG-MNDPQUGUSA-N
ChEBI Ontology
Outgoing Relation(s)
(24E)-3alpha-Acetoxy-15alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid (CHEBI:175939) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(Z)-6-(3-acetyloxy-15-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxohept-2-enoic acid
Manual XrefsDatabases
74886422ChemSpider
HMDB0035386HMDB