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

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3',4',5,7-TETRA-O-BENZYL-(-)-EPICATECHIN
SpectraBase Compound ID FLqwKqmEyWo
InChI InChI=1S/C43H38O6/c44-38-26-37-40(47-29-33-17-9-3-10-18-33)24-36(45-27-31-13-5-1-6-14-31)25-41(37)49-43(38)35-21-22-39(46-28-32-15-7-2-8-16-32)42(23-35)48-30-34-19-11-4-12-20-34/h1-25,38,43-44H,26-30H2/t38-,43-/m1/s1
InChIKey NRJRMFXLQSNZGY-BVXKYASOSA-N
Mol Weight 650.8 g/mol
Molecular Formula C43H38O6
Exact Mass 650.266839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HisM1IPrc2j
Name 3',4',5,7-TETRA-O-BENZYL-(-)-EPICATECHIN
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H38O6
InChI InChI=1S/C43H38O6/c44-38-26-37-40(47-29-33-17-9-3-10-18-33)24-36(45-27-31-13-5-1-6-14-31)25-41(37)49-43(38)35-21-22-39(46-28-32-15-7-2-8-16-32)42(23-35)48-30-34-19-11-4-12-20-34/h1-25,38,43-44H,26-30H2/t38-,43-/m1/s1
InChIKey NRJRMFXLQSNZGY-BVXKYASOSA-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 650.771 g/mol
Sample ID 44602
Solvent CDCl3