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Unedide methyl ester
SpectraBase Compound ID Dz8uq1XY5PK
InChI InChI=1S/C17H26O12/c1-26-14(24)6-4-27-15(10-9(6)7(20)2-17(10,25)5-19)29-16-13(23)12(22)11(21)8(3-18)28-16/h4,7-13,15-16,18-23,25H,2-3,5H2,1H3/t7?,8-,9?,10?,11-,12+,13-,15?,16+,17?/m0/s1
InChIKey TZVOANVHPCUBIU-SGUKTWLSSA-N
Mol Weight 422.38 g/mol
Molecular Formula C17H26O12
Exact Mass 422.142426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Esd4fStBGAy
Name Unedide methyl ester
CAS Registry Number 80680-44-0
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Formula C17H26O12
InChI InChI=1S/C17H26O12/c1-26-14(24)6-4-27-15(10-9(6)7(20)2-17(10,25)5-19)29-16-13(23)12(22)11(21)8(3-18)28-16/h4,7-13,15-16,18-23,25H,2-3,5H2,1H3/t7?,8-,9?,10?,11-,12+,13-,15?,16+,17?/m0/s1
InChIKey TZVOANVHPCUBIU-SGUKTWLSSA-N
Literature Reference E. Davini, P. Esposito, Phytochem. 20, 1538 (1981).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O