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(Q105307950)
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English
[6-[acetyloxy-[1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-7,8-dihydro-1H-isochromen-5-yl]methyl]-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-5-oxocyclohexyl] 2-methylbutanoate
group of stereoisomers with the chemical formula C₃₄H₄₄O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
644.283276848
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₄H₄₄O₁₂
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canonical SMILES
O=C1OC(C2=COC=C2)C3(C(=C1)C(O)(C(=O)CC3)C(OC(=O)C)C4C(=O)C(C)C(CC(=O)OC)C(C)(C)C4OC(=O)C(C)CC)C
0 references
found in taxon
Xylocarpus granatum
1 reference
stated in
Limonoids from the Seeds of the Marine Mangrove Xylocarpus granatum
Identifiers
InChI
InChI=1S/C34H44O12/c1-9-17(2)31(40)46-29-26(27(39)18(3)21(32(29,5)6)14-24(37)42-8)30(44-19(4)35)34(41)22-15-25(38)45-28(20-11-13-43-16-20)33(22,7)12-10-23(34)36/h11,13,15-18,21,26,28-30,41H,9-10,12,14H2,1-8H3
0 references
InChIKey
WLGITUVANAQCQM-UHFFFAOYSA-N
0 references
PubChem CID
162939730
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WLGITUVANAQCQM-UHFFFAOYSA-N
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