John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=AWR59Wu1DLc SpectraBase Spectrum ID=2bkw9Xn6l1n

(accessed ).
4-BENZYLTHIOEPICATECHIN
SpectraBase Compound ID AWR59Wu1DLc
InChI InChI=1S/C22H20O6S/c23-14-9-17(26)19-18(10-14)28-21(13-6-7-15(24)16(25)8-13)20(27)22(19)29-11-12-4-2-1-3-5-12/h1-10,20-27H,11H2/t20-,21+,22?/m0/s1
InChIKey YYEFTOIQHQHUQZ-UGGDCYSXSA-N
Mol Weight 412.46 g/mol
Molecular Formula C22H20O6S
Exact Mass 412.09806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bkw9Xn6l1n
Name 4-BENZYLTHIOEPICATECHIN
Compound Number 9
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20O6S
InChI InChI=1S/C22H20O6S/c23-14-9-17(26)19-18(10-14)28-21(13-6-7-15(24)16(25)8-13)20(27)22(19)29-11-12-4-2-1-3-5-12/h1-10,20-27H,11H2/t20-,21+,22?/m0/s1
InChIKey YYEFTOIQHQHUQZ-UGGDCYSXSA-N
Literature Reference Author L.C.LIN,Y.C.KUO,C.J.CHOU
Literature Reference Citation J.NAT.PROD.,65,505(2002)
Literature Reference DOI 10.1021/np010414l
Molecular Weight 412.457 g/mol
Solvent CD3OD
Source File Reference UWSI5572
SpectraBase Batch ID 2VvlYFJ8YSg