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3',4',5,7-TETRA-O-BENZYL-4-BETA-(2-HYDROXYETHOXY)-EPICATECHIN

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3',4',5,7-TETRA-O-BENZYL-4-BETA-(2-HYDROXYETHOXY)-EPICATECHIN
SpectraBase Compound ID BqQbLHWbMAC
InChI InChI=1S/C45H42O8/c46-23-24-48-45-42-40(52-31-35-19-11-4-12-20-35)26-37(49-28-32-13-5-1-6-14-32)27-41(42)53-44(43(45)47)36-21-22-38(50-29-33-15-7-2-8-16-33)39(25-36)51-30-34-17-9-3-10-18-34/h1-22,25-27,43-47H,23-24,28-31H2/t43-,44+,45-/m0/s1
InChIKey UFUPNHFDBRIMKL-BKXXXTAHSA-N
Mol Weight 710.8 g/mol
Molecular Formula C45H42O8
Exact Mass 710.287968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID oKjgQBW5VI
Name 3',4',5,7-TETRA-O-BENZYL-4-BETA-(2-HYDROXYETHOXY)-EPICATECHIN
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H42O8
InChI InChI=1S/C45H42O8/c46-23-24-48-45-42-40(52-31-35-19-11-4-12-20-35)26-37(49-28-32-13-5-1-6-14-32)27-41(42)53-44(43(45)47)36-21-22-38(50-29-33-15-7-2-8-16-33)39(25-36)51-30-34-17-9-3-10-18-34/h1-22,25-27,43-47H,23-24,28-31H2/t43-,44+,45-/m0/s1
InChIKey UFUPNHFDBRIMKL-BKXXXTAHSA-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 710.824 g/mol
Sample ID 44604
Solvent CDCl3