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CHEBI:181070 - [(6E,11E)-3a,9,13-Triacetyloxy-2,5,8,8,12-pentamethyl-4,10-dioxo-2,3,5,9,13,13a-hexahydro-1H-cyclopenta[12]annulen-1-yl] benzoate

ChEBI IDCHEBI:181070
ChEBI Name[(6E,11E)-3a,9,13-Triacetyloxy-2,5,8,8,12-pentamethyl-4,10-dioxo-2,3,5,9,13,13a-hexahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O10
Net Charge0
Average Mass596.673
Monoisotopic Mass596.26215
SMILESCC(=O)OC1/C(C)=C/C(=O)C(OC(C)=O)C(C)(C)/C=C/C(C)C(=O)C2(OC(C)=O)CC(C)C(OC(=O)c3ccccc3)C12
InChIInChI=1S/C33H40O10/c1-18-14-15-32(7,8)30(41-22(5)35)25(37)16-19(2)27(40-21(4)34)26-28(42-31(39)24-12-10-9-11-13-24)20(3)17-33(26,29(18)38)43-23(6)36/h9-16,18,20,26-28,30H,17H2,1-8H3/b15-14+,19-16+
InChIKeyMVZQKKYLZHTDHU-VNXILKCPSA-N
ChEBI Ontology
Outgoing Relation(s)
[(6E,11E)-3a,9,13-Triacetyloxy-2,5,8,8,12-pentamethyl-4,10-dioxo-2,3,5,9,13,13a-hexahydro-1H-cyclopenta[12]annulen-1-yl] benzoate (CHEBI:181070) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(6E,11E)-3a,9,13-triacetyloxy-2,5,8,8,12-pentamethyl-4,10-dioxo-2,3,5,9,13,13a-hexahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
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