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(-)-EPIGALLOCATECHIN-3-O-GALLATE-(4-BETA-S)-BENZYL-THIOETHER
SpectraBase Compound ID FjfBreHlfVP
InChI InChI=1S/C29H24O11S/c30-16-10-17(31)23-22(11-16)39-26(14-6-18(32)24(36)19(33)7-14)27(28(23)41-12-13-4-2-1-3-5-13)40-29(38)15-8-20(34)25(37)21(35)9-15/h1-11,26-28,30-37H,12H2/t26-,27+,28+/m1/s1
InChIKey CEUGTIORABEACS-PKTNWEFCSA-N
Mol Weight 580.56 g/mol
Molecular Formula C29H24O11S
Exact Mass 580.103933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 61STjjZSkB2
Name (-)-EPIGALLOCATECHIN-3-O-GALLATE-(4-BETA-S)-BENZYL-THIOETHER
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H24O11S
InChI InChI=1S/C29H24O11S/c30-16-10-17(31)23-22(11-16)39-26(14-6-18(32)24(36)19(33)7-14)27(28(23)41-12-13-4-2-1-3-5-13)40-29(38)15-8-20(34)25(37)21(35)9-15/h1-11,26-28,30-37H,12H2/t26-,27+,28+/m1/s1
InChIKey CEUGTIORABEACS-PKTNWEFCSA-N
Literature Reference Author G.G.YOUSEF,M.H.GRACE,D.M.CHENG,I.V.BELOLIPOV,I.RASKIN,M.A.LI LA
Literature Reference Citation PHYTOCHEM.,67,2380(2006)
Literature Reference DOI 10.1016/j.phytochem.2006.07.026
Molecular Weight 580.563 g/mol
Sample ID 67200
Solvent ACETONE-D6