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EPICATECHIN-(4-BETA->8)-4-BETA-CARBOXYMETHYLEPICATECHIN_SODIUM_SALT
SpectraBase Compound ID ALU40ggM2k
InChI InChI=1S/C32H28O14.Na/c33-13-7-19(38)25-22(8-13)45-31(12-2-4-16(35)18(37)6-12)29(44)27(25)26-21(40)10-20(39)24-14(9-23(41)42)28(43)30(46-32(24)26)11-1-3-15(34)17(36)5-11;/h1-8,10,14,27-31,33-40,43-44H,9H2,(H,41,42);/q;+1/p-1/t14-,27+,28-,29+,30+,31+;/m0./s1
InChIKey XYAYKBMGKNZBIJ-ZETMLBOHSA-M
Mol Weight 658.5 g/mol
Molecular Formula C32H27NaO14
Exact Mass 658.12985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4eAnYewms4e
Name EPICATECHIN-(4-BETA->8)-4-BETA-CARBOXYMETHYLEPICATECHIN_SODIUM_SALT
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H27NaO14
InChI InChI=1S/C32H28O14.Na/c33-13-7-19(38)25-22(8-13)45-31(12-2-4-16(35)18(37)6-12)29(44)27(25)26-21(40)10-20(39)24-14(9-23(41)42)28(43)30(46-32(24)26)11-1-3-15(34)17(36)5-11;/h1-8,10,14,27-31,33-40,43-44H,9H2,(H,41,42);/q;+1/p-1/t14-,27+,28-,29+,30+,31+;/m0./s1
InChIKey XYAYKBMGKNZBIJ-ZETMLBOHSA-M
Literature Reference Author T.H.HWANG,Y.KASHIWADA,G.I.NONAKA,I.NISHIOKA
Literature Reference Citation PHYTOCHEM.,29,279(1990)
Literature Reference DOI 10.1016/0031-9422(90)89050-J
Molecular Weight 658.548 g/mol
Solvent ACETONE-D6:D2O
Source File Reference UWMZ25633