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CHEBI:181943 - [(6Z,12E)-4,9,11-Triacetyloxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate

ChEBI IDCHEBI:181943
ChEBI Name[(6Z,12E)-4,9,11-Triacetyloxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H44O9
Net Charge0
Average Mass584.706
Monoisotopic Mass584.29853
SMILESCC(=O)OC1CC(OC(C)=O)C(C)(C)/C=C\C(C)C(OC(C)=O)C2(O)CC(C)C(OC(=O)c3ccccc3)C2/C=C/1C
InChIInChI=1S/C33H44O9/c1-19-14-15-32(7,8)28(40-23(5)35)17-27(39-22(4)34)20(2)16-26-29(42-31(37)25-12-10-9-11-13-25)21(3)18-33(26,38)30(19)41-24(6)36/h9-16,19,21,26-30,38H,17-18H2,1-8H3/b15-14-,20-16+
InChIKeyBRVXVMOWTHQKHC-HIAHFQITSA-N
ChEBI Ontology
Outgoing Relation(s)
[(6Z,12E)-4,9,11-Triacetyloxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate (CHEBI:181943) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(6Z,12E)-4,9,11-triacetyloxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
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C19991KEGG COMPOUND