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2',5'-BIS-(2-HYDROXYETHYLTHIO)-(-)-EPICATECHIN;2',5'-HETEC

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2',5'-BIS-(2-HYDROXYETHYLTHIO)-(-)-EPICATECHIN;2',5'-HETEC
SpectraBase Compound ID 71Wk4HKKYZT
InChI InChI=1S/C19H22O8S2/c20-1-3-28-15-8-11(19(29-4-2-21)17(26)16(15)25)18-13(24)7-10-12(23)5-9(22)6-14(10)27-18/h5-6,8,13,18,20-26H,1-4,7H2/t13-,18-/m0/s1
InChIKey ZGZOSTCDSSLONQ-UGSOOPFHSA-N
Mol Weight 442.5 g/mol
Molecular Formula C19H22O8S2
Exact Mass 442.07561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2E9Iulb2i1m
Name 2',5'-BIS-(2-HYDROXYETHYLTHIO)-(-)-EPICATECHIN;2',5'-HETEC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H22O8S2
InChI InChI=1S/C19H22O8S2/c20-1-3-28-15-8-11(19(29-4-2-21)17(26)16(15)25)18-13(24)7-10-12(23)5-9(22)6-14(10)27-18/h5-6,8,13,18,20-26H,1-4,7H2/t13-,18-/m0/s1
InChIKey ZGZOSTCDSSLONQ-UGSOOPFHSA-N
Literature Reference Author O.NEGISHI,T.OZAWA
Literature Reference Citation PHYTOCHEM.,54,481(2000)
Literature Reference DOI 10.1016/S0031-9422(00)00125-4
Molecular Weight 442.499 g/mol
Solvent ACETONE-D6
Source File Reference UWLU1323