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2'-(2-HYDROXYETHYLTHIO)-(-)-EPICATECHIN;2'-HETEC

View entire compound with spectra: 1 NMR

2'-(2-HYDROXYETHYLTHIO)-(-)-EPICATECHIN;2'-HETEC
SpectraBase Compound ID 7iCKo9whZsc
InChI InChI=1S/C17H18O7S/c18-3-4-25-17-9(1-2-11(20)15(17)23)16-13(22)7-10-12(21)5-8(19)6-14(10)24-16/h1-2,5-6,13,16,18-23H,3-4,7H2/t13-,16-/m1/s1
InChIKey CZQINZSNRRDHQO-CZUORRHYSA-N
Mol Weight 366.38 g/mol
Molecular Formula C17H18O7S
Exact Mass 366.077324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FfbuNv2iKdm
Name 2'-(2-HYDROXYETHYLTHIO)-(-)-EPICATECHIN;2'-HETEC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18O7S
InChI InChI=1S/C17H18O7S/c18-3-4-25-17-9(1-2-11(20)15(17)23)16-13(22)7-10-12(21)5-8(19)6-14(10)24-16/h1-2,5-6,13,16,18-23H,3-4,7H2/t13-,16-/m1/s1
InChIKey CZQINZSNRRDHQO-CZUORRHYSA-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 366.386 g/mol
Solvent ACETONE-D6
Source File Reference UWLU1321