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(Q105146547)
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English
5-Acetyloxy-6-[6-(2-methoxy-2-oxoethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-3a-methyl-4-(2-methylbutanoyloxy)-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[3,3a-b]oxirene-3-carboxylic acid
group of stereoisomers with the chemical formula C₃₁H₄₂O₁₀
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
574.2777975439999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₁H₄₂O₁₀
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canonical SMILES
O=C(OC1C(OC(=O)C(C)CC)C2(C)C(C(=O)O)CC3OC32C(=C)C1C4(C=CC(=O)C(C)(C)C4CC(=O)OC)C)C
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Identifiers
InChI
InChI=1S/C31H42O10/c1-10-15(2)27(37)40-25-24(39-17(4)32)23(16(3)31-21(41-31)13-18(26(35)36)30(25,31)8)29(7)12-11-20(33)28(5,6)19(29)14-22(34)38-9/h11-12,15,18-19,21,23-25H,3,10,13-14H2,1-2,4-9H3,(H,35,36)
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InChIKey
KVIVZEJTNVYLGT-UHFFFAOYSA-N
0 references
PubChem CID
162939197
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KVIVZEJTNVYLGT-UHFFFAOYSA-N
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