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#6;4-O-8',5'-5''-DEHYDROTRIFERULIC-ACID;Z-3-[5'-(E-2-CARBOXYVINYL)-6,2'-DIHYDROXY-5,3'-DIMETHOXYBIPHENYL-3-YL]-2-[4-(E-2-CARBOXYVINYL)-2-METHOXYPHENOXY]-
SpectraBase Compound ID KmSQhYMhvsD
InChI InChI=1S/C30H26O12/c1-39-22-12-16(5-8-26(31)32)4-7-21(22)42-25(30(37)38)15-18-11-20(29(36)24(14-18)41-3)19-10-17(6-9-27(33)34)13-23(40-2)28(19)35/h4-15,35-36H,1-3H3,(H,31,32)(H,33,34)(H,37,38)/b8-5+,9-6+,25-15-
InChIKey PIXLMMCJKULCET-VVYRROKUSA-N
Mol Weight 578.53 g/mol
Molecular Formula C30H26O12
Exact Mass 578.142426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6jaeQP3VHTr
Name #6;4-O-8',5'-5''-DEHYDROTRIFERULIC-ACID;Z-3-[5'-(E-2-CARBOXYVINYL)-6,2'-DIHYDROXY-5,3'-DIMETHOXYBIPHENYL-3-YL]-2-[4-(E-2-CARBOXYVINYL)-2-METHOXYPHENOXY]-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H26O12
InChI InChI=1S/C30H26O12/c1-39-22-12-16(5-8-26(31)32)4-7-21(22)42-25(30(37)38)15-18-11-20(29(36)24(14-18)41-3)19-10-17(6-9-27(33)34)13-23(40-2)28(19)35/h4-15,35-36H,1-3H3,(H,31,32)(H,33,34)(H,37,38)/b8-5+,9-6+,25-15-
InChIKey PIXLMMCJKULCET-VVYRROKUSA-N
Literature Reference Author X.ROUAU,V.CHEYNIER,A.SURGET,D.GLOUX,C.BARRON,E.MEUDEC,J.LOUS -MONTERO,M.CRITON
Literature Reference Citation PHYTOCHEM.,63,899(2003)
Literature Reference DOI 10.1016/S0031-9422(03)00297-8
Molecular Weight 578.529 g/mol
Solvent ACETONE-D6
Source File Reference UWMS28420