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4-beta-(2-HYDROXY-ETHYL-SULFONYL)-EPICATECHIN-3-O-GALLATE

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4-beta-(2-HYDROXY-ETHYL-SULFONYL)-EPICATECHIN-3-O-GALLATE
SpectraBase Compound ID FG9fPR9AYAT
InChI InChI=1S/C24H22O12S/c25-1-2-37-23-18-12(27)7-11(26)8-17(18)35-21(9-3-13(28)19(32)14(29)4-9)22(23)36-24(34)10-5-15(30)20(33)16(31)6-10/h3-8,21-23,25-33H,1-2H2/t21-,22+,23+/m0/s1
InChIKey UHHBMJFEBOOKPB-YTFSRNRJSA-N
Mol Weight 534.49 g/mol
Molecular Formula C24H22O12S
Exact Mass 534.083197 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQZdhkXnoVc
Name 4-beta-(2-HYDROXY-ETHYL-SULFONYL)-EPICATECHIN-3-O-GALLATE
Compound Number 4
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C24H22O12S/c25-1-2-37-23-18-12(27)7-11(26)8-17(18)35-21(9-3-13(28)19(32)14(29)4-9)22(23)36-24(34)10-5-15(30)20(33)16(31)6-10/h3-8,21-23,25-33H,1-2H2/t21-,22+,23+/m0/s1
InChIKey UHHBMJFEBOOKPB-YTFSRNRJSA-N
Literature Reference T.TANAKA,R.TAKAHASHI,I.KOUNO,G.NONAKA J.CHEM.SOC.PERKIN-1,3013(1994)
Solvent Acetone-d6:Deuterium oxide