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(Q105191205)
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English
4-Butanoyl-6-[[3-butanoyl-5-[(5-butanoyl-3,3-dimethyl-2,4,6-trioxocyclohexyl)methyl]-2,4,6-trihydroxyphenyl]methyl]-2,2-dimethylcyclohexane-1,3,5-trione
group of stereoisomers with the chemical formula C₃₆H₄₄O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
668.283276848
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₆H₄₄O₁₂
0 references
canonical SMILES
O=C(C=1C(O)=C(C(O)=C(C1O)CC2C(=O)C(C(=O)CCC)C(=O)C(C2=O)(C)C)CC3C(=O)C(C(=O)CCC)C(=O)C(C3=O)(C)C)CCC
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Identifiers
InChI
InChI=1S/C36H44O12/c1-8-11-20(37)23-27(41)16(14-18-29(43)24(21(38)12-9-2)33(47)35(4,5)31(18)45)26(40)17(28(23)42)15-19-30(44)25(22(39)13-10-3)34(48)36(6,7)32(19)46/h18-19,24-25,40-42H,8-15H2,1-7H3
0 references
InChIKey
OFLHXQMIUNEEDR-UHFFFAOYSA-N
0 references
PubChem CID
73672224
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OFLHXQMIUNEEDR-UHFFFAOYSA-N
UniChem compound ID
76667708
1 reference
stated in
UniChem
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