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(Q105198413)
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English
[3-[5-Acetyloxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,6,10-tetramethyl-15-(4,5,6-trihydroxy-6-methylheptan-2-yl)-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] acetate
group of stereoisomers with the chemical formula C₄₀H₆₆O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
738.4554275520003
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₀H₆₆O₁₂
0 references
canonical SMILES
O=C(OC1CCC2(C)C3CCC45CC5(CCC4C(C)CC(O)C(O)C(O)(C)C)C3(C)C(OC6OC(CO)C(OC(=O)C)C(O)C6O)CC2C1(C)C)C
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Identifiers
InChI
InChI=1S/C40H66O12/c1-20(16-24(44)33(47)36(6,7)48)23-10-15-40-19-39(23,40)14-11-26-37(8)13-12-28(49-21(2)42)35(4,5)27(37)17-29(38(26,40)9)52-34-31(46)30(45)32(50-22(3)43)25(18-41)51-34/h20,23-34,41,44-48H,10-19H2,1-9H3
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InChIKey
ORSAQZNKGQGVFO-UHFFFAOYSA-N
0 references
PubChem CID
85165665
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ORSAQZNKGQGVFO-UHFFFAOYSA-N
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