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EPICATECHIN-(2-BETA->O->7,4-BETA->6)-CATECHIN-HEPTAMETHYLETHER

View entire compound with spectra: 1 NMR

EPICATECHIN-(2-BETA->O->7,4-BETA->6)-CATECHIN-HEPTAMETHYLETHER
SpectraBase Compound ID I8gog9fmIs2
InChI InChI=1S/C37H38O12/c1-40-20-14-28(45-6)31-29(15-20)48-37(19-9-11-24(42-3)27(13-19)44-5)36(39)33(31)32-30(49-37)17-25-21(35(32)46-7)16-22(38)34(47-25)18-8-10-23(41-2)26(12-18)43-4/h8-15,17,22,33-34,36,38-39H,16H2,1-7H3/t22-,33+,34+,36+,37-/m1/s1
InChIKey FWUMZTIEGVRCSQ-WWKTVNKKSA-N
Mol Weight 674.7 g/mol
Molecular Formula C37H38O12
Exact Mass 674.236327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BchCtifmh9d
Name EPICATECHIN-(2-BETA->O->7,4-BETA->6)-CATECHIN-HEPTAMETHYLETHER
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H38O12
InChI InChI=1S/C37H38O12/c1-40-20-14-28(45-6)31-29(15-20)48-37(19-9-11-24(42-3)27(13-19)44-5)36(39)33(31)32-30(49-37)17-25-21(35(32)46-7)16-22(38)34(47-25)18-8-10-23(41-2)26(12-18)43-4/h8-15,17,22,33-34,36,38-39H,16H2,1-7H3/t22-,33+,34+,36+,37-/m1/s1
InChIKey FWUMZTIEGVRCSQ-WWKTVNKKSA-N
Literature Reference Author H.LOU,Y.YAMAZAKI,T.SASAKI,M.UCHIDA,H.TANAKA,S.OKA
Literature Reference Citation PHYTOCHEM.,51,297(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00736-5
Molecular Weight 674.702 g/mol
Solvent CDCl3
Source File Reference UWUC275