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(Q105031276)
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English
[1,5,9-Triacetyloxy-9a-(acetyloxymethyl)-3a-hydroxy-2,5-dimethyl-4-oxo-6-prop-1-en-2-yl-1,2,3,5a,6,9,10,10a-octahydrobenzo[f]azulen-10-yl] benzoate
group of stereoisomers with the chemical formula C₃₅H₄₂O₁₂
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
654.2676267840001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₅H₄₂O₁₂
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canonical SMILES
O=C(OC1C2C(OC(=O)C)C(C)CC2(O)C(=O)C(OC(=O)C)(C)C3C(C=CC(OC(=O)C)C13COC(=O)C)C(=C)C)C=4C=CC=CC4
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Identifiers
InChI
InChI=1S/C35H42O12/c1-18(2)25-14-15-26(44-21(5)37)34(17-43-20(4)36)29(25)33(8,47-23(7)39)32(41)35(42)16-19(3)28(45-22(6)38)27(35)30(34)46-31(40)24-12-10-9-11-13-24/h9-15,19,25-30,42H,1,16-17H2,2-8H3
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InChIKey
HOGZGYQYXIPIFE-UHFFFAOYSA-N
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PubChem CID
78180641
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HOGZGYQYXIPIFE-UHFFFAOYSA-N
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