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4-BETA-CARBOXYMETHYL-(-)-EPICATECHIN_SODIUM_SALT
SpectraBase Compound ID 5WaIkvvzXjB
InChI InChI=1S/C17H16O8.Na/c18-8-4-12(21)15-9(6-14(22)23)16(24)17(25-13(15)5-8)7-1-2-10(19)11(20)3-7;/h1-5,9,16-21,24H,6H2,(H,22,23);/q;+1/p-1/t9-,16+,17+;/m0./s1
InChIKey SSBURDXQDBGIOD-IOTWMHRJSA-M
Mol Weight 370.29 g/mol
Molecular Formula C17H15NaO8
Exact Mass 370.066462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ERvVfXkZoM
Name 4-BETA-CARBOXYMETHYL-(-)-EPICATECHIN_SODIUM_SALT
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H15NaO8
InChI InChI=1S/C17H16O8.Na/c18-8-4-12(21)15-9(6-14(22)23)16(24)17(25-13(15)5-8)7-1-2-10(19)11(20)3-7;/h1-5,9,16-21,24H,6H2,(H,22,23);/q;+1/p-1/t9-,16+,17+;/m0./s1
InChIKey SSBURDXQDBGIOD-IOTWMHRJSA-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 370.291 g/mol
Solvent ACETONE-D6:D2O
Source File Reference UWMZ25629