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EPICATECHIN-(4-BETA->8,2-BETA->O->7)-EPICATECHIN-(4-ALPHA->8)-EPICATECHIN-4'-(2-HYDROXYETHYL)-THIOETHER
SpectraBase Compound ID FzMRvtfutS5
InChI InChI=1S/C32H28O13S/c33-5-6-46-30-24-20(40)11-22-25(29(24)43-28(27(30)41)12-1-3-15(35)17(37)7-12)26-23-19(39)9-14(34)10-21(23)44-32(45-22,31(26)42)13-2-4-16(36)18(38)8-13/h1-4,7-11,26-28,30-31,33-42H,5-6H2/t26?,27-,28+,30-,31-,32-/m1/s1
InChIKey JWGGMXZFFRHTNY-DVVIVKPKSA-N
Mol Weight 652.6 g/mol
Molecular Formula C32H28O13S
Exact Mass 652.125062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ESCpJqGBFcF
Name EPICATECHIN-(4-BETA->8,2-BETA->O->7)-EPICATECHIN-(4-ALPHA->8)-EPICATECHIN-4'-(2-HYDROXYETHYL)-THIOETHER
Compound Number 4A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H28O13S
InChI InChI=1S/C32H28O13S/c33-5-6-46-30-24-20(40)11-22-25(29(24)43-28(27(30)41)12-1-3-15(35)17(37)7-12)26-23-19(39)9-14(34)10-21(23)44-32(45-22,31(26)42)13-2-4-16(36)18(38)8-13/h1-4,7-11,26-28,30-31,33-42H,5-6H2/t26?,27-,28+,30-,31-,32-/m1/s1
InChIKey JWGGMXZFFRHTNY-DVVIVKPKSA-N
Literature Reference Author T.TANAKA,K.KONDOU,I.KOUNO
Literature Reference Citation PHYTOCHEM.,53,311(2000)
Literature Reference DOI 10.1016/S0031-9422(99)00533-6
Molecular Weight 652.627 g/mol
Solvent ACETONE-D6
Source File Reference UWLU1656