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(Q105302087)
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English
(3a-Acetyloxy-13-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-1,2,3,7,10,11,13,13a-octahydrocyclopenta[12]annulen-1-yl) benzoate
group of stereoisomers with the chemical formula C₂₉H₃₆O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
jatrophane diterpenoid
1 reference
inferred from
jatrophane diterpenoid
mass
496.2461034919998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₉H₃₆O₇
0 references
canonical SMILES
O=C(OC1C(C)CC2(OC(=O)C)C(=O)C(=CCC(C(=O)CCC(=C)C(O)C12)(C)C)C)C=3C=CC=CC3
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Identifiers
InChI
InChI=1S/C29H36O7/c1-17-12-13-22(31)28(5,6)15-14-18(2)26(33)29(36-20(4)30)16-19(3)25(23(29)24(17)32)35-27(34)21-10-8-7-9-11-21/h7-11,14,19,23-25,32H,1,12-13,15-16H2,2-6H3
0 references
InChIKey
WCUGXWHXIOTFKT-UHFFFAOYSA-N
0 references
PubChem CID
162965737
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WCUGXWHXIOTFKT-UHFFFAOYSA-N
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