John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=L89M7A0dzAq SpectraBase Spectrum ID=2W48WDuJZPs

(accessed ).
(-)-4-beta-(2-HYDROXY-ETHYL-SULFONYL)-EPICATECHIN-3-O-GALLATE
SpectraBase Compound ID L89M7A0dzAq
InChI InChI=1S/C24H22O11S/c25-3-4-36-23-19-15(29)8-12(26)9-18(19)34-21(10-1-2-13(27)14(28)5-10)22(23)35-24(33)11-6-16(30)20(32)17(31)7-11/h1-2,5-9,21-23,25-32H,3-4H2/t21-,22+,23+/m0/s1
InChIKey WRFFIOPGTFDGHG-YTFSRNRJSA-N
Mol Weight 518.49 g/mol
Molecular Formula C24H22O11S
Exact Mass 518.088284 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2W48WDuJZPs
Name (-)-4-beta-(2-HYDROXY-ETHYL-SULFONYL)-EPICATECHIN-3-O-GALLATE
Compound Number 2
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C24H22O11S/c25-3-4-36-23-19-15(29)8-12(26)9-18(19)34-21(10-1-2-13(27)14(28)5-10)22(23)35-24(33)11-6-16(30)20(32)17(31)7-11/h1-2,5-9,21-23,25-32H,3-4H2/t21-,22+,23+/m0/s1
InChIKey WRFFIOPGTFDGHG-YTFSRNRJSA-N
Literature Reference T.TANAKA,R.TAKAHASHI,I.KOUNO,G.NONAKA J.CHEM.SOC.PERKIN-1,3013(1994)
Solvent Acetone-d6:Deuterium oxide
SpectraBase Batch ID 1Mh6WsyT1lC