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#13;TRIACETATE-OF-5'-(5''-CARBOXALDEHYDE-2''-HYDROXY-3''-METHOXYPHENYL)-6,9-BIS-(HYDROXYMETHYL)-3',4,11-TRIMETHOXYDIBENZO-[D,F]-[1,3]-DIOXEPIN-2-SPIRO-4'-C
SpectraBase Compound ID 7OL6TfWXlqJ
InChI InChI=1S/C37H34O14/c1-19(39)47-17-23-9-25-26-10-24(18-48-20(2)40)13-31(45-6)36(26)51-37(50-35(25)30(12-23)44-5)14-28(33(42)32(15-37)46-7)27-8-22(16-38)11-29(43-4)34(27)49-21(3)41/h8-16H,17-18H2,1-7H3
InChIKey BBXKXCFSZGQALU-UHFFFAOYSA-N
Mol Weight 702.7 g/mol
Molecular Formula C37H34O14
Exact Mass 702.194856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HXvleTdF5GF
Name #13;TRIACETATE-OF-5'-(5''-CARBOXALDEHYDE-2''-HYDROXY-3''-METHOXYPHENYL)-6,9-BIS-(HYDROXYMETHYL)-3',4,11-TRIMETHOXYDIBENZO-[D,F]-[1,3]-DIOXEPIN-2-SPIRO-4'-C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H34O14
InChI InChI=1S/C37H34O14/c1-19(39)47-17-23-9-25-26-10-24(18-48-20(2)40)13-31(45-6)36(26)51-37(50-35(25)30(12-23)44-5)14-28(33(42)32(15-37)46-7)27-8-22(16-38)11-29(43-4)34(27)49-21(3)41/h8-16H,17-18H2,1-7H3
InChIKey BBXKXCFSZGQALU-UHFFFAOYSA-N
Literature Reference Author M.LAHTINEN,K.KRUUS,P.HEINONEN,J.SIPILA
Literature Reference Citation J.AGR.FOOD.CHEM.,57,8357(2009)
Literature Reference DOI 10.1021/jf901511k
Molecular Weight 702.669 g/mol
Sample ID 68149
Solvent CDCl3