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3',4',5,7-TETRA-O-BENZYL-8-BROMO-4-BETA-(2-HYDROXYETHYLOXY)-EPICATECHIN

View entire compound with spectra: 1 NMR

3',4',5,7-TETRA-O-BENZYL-8-BROMO-4-BETA-(2-HYDROXYETHYLOXY)-EPICATECHIN
SpectraBase Compound ID 5hHj233Wqod
InChI InChI=1S/C45H41BrO8/c46-41-39(53-30-34-19-11-4-12-20-34)26-38(52-29-33-17-9-3-10-18-33)40-44(41)54-43(42(48)45(40)49-24-23-47)35-21-22-36(50-27-31-13-5-1-6-14-31)37(25-35)51-28-32-15-7-2-8-16-32/h1-22,25-26,42-43,45,47-48H,23-24,27-30H2/t42-,43+,45-/m0/s1
InChIKey MPKBUTJFDSDXBX-LKFPOFNCSA-N
Mol Weight 789.7 g/mol
Molecular Formula C45H41BrO8
Exact Mass 788.198481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 75BJOg5vg7h
Name 3',4',5,7-TETRA-O-BENZYL-8-BROMO-4-BETA-(2-HYDROXYETHYLOXY)-EPICATECHIN
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H41BrO8
InChI InChI=1S/C45H41BrO8/c46-41-39(53-30-34-19-11-4-12-20-34)26-38(52-29-33-17-9-3-10-18-33)40-44(41)54-43(42(48)45(40)49-24-23-47)35-21-22-36(50-27-31-13-5-1-6-14-31)37(25-35)51-28-32-15-7-2-8-16-32/h1-22,25-26,42-43,45,47-48H,23-24,27-30H2/t42-,43+,45-/m0/s1
InChIKey MPKBUTJFDSDXBX-LKFPOFNCSA-N
Literature Reference Author I.TARASCOU,K.BARATHIEU,Y.ANDRE,I.PIANET,E.J.DUFOURC,E.FOUQUE T
Literature Reference Citation EUR.J.ORG.CHEM.,5367(2006)
Molecular Weight 789.720 g/mol
Sample ID 44606
Solvent CDCl3