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(Q105325221)
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English
Methyl 2-[7-(furan-3-yl)-12-(hydroxymethyl)-1,8,15,15-tetramethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-13-yl]acetate
group of stereoisomers with the chemical formula C₂₇H₃₄O₉
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Statements
instance of
group of stereoisomers
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subclass of
limonoid
1 reference
inferred from
limonoid
mass
502.22028266799975
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₃₄O₉
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canonical SMILES
O=C(OC)CC1OC(C)(C)C2CC(=O)C3(C)C(CCC4(C)C(OC(=O)C5OC534)C6=COC=C6)C12CO
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Identifiers
InChI
InChI=1S/C27H34O9/c1-23(2)16-10-17(29)25(4)15(26(16,13-28)18(35-23)11-19(30)32-5)6-8-24(3)20(14-7-9-33-12-14)34-22(31)21-27(24,25)36-21/h7,9,12,15-16,18,20-21,28H,6,8,10-11,13H2,1-5H3
0 references
InChIKey
XCLFXSUTXZKNFU-UHFFFAOYSA-N
0 references
PubChem CID
74336962
1 reference
based on heuristic
inferred from InChIKey
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