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(+)-CATECHIN-3-O-BETA-D-GLUCO-(2,6-BIS-CINNAMOYL)-PYRANOSIDE

View entire compound with spectra: 1 NMR

(+)-CATECHIN-3-O-BETA-D-GLUCO-(2,6-BIS-CINNAMOYL)-PYRANOSIDE
SpectraBase Compound ID JE6PCEW5n2w
InChI InChI=1S/C39H36O13/c40-25-18-28(42)26-20-31(37(49-30(26)19-25)24-13-14-27(41)29(43)17-24)50-39-38(52-34(45)16-12-23-9-5-2-6-10-23)36(47)35(46)32(51-39)21-48-33(44)15-11-22-7-3-1-4-8-22/h1-19,31-32,35-43,46-47H,20-21H2/b15-11+,16-12+/t31-,32+,35+,36-,37+,38+,39+/m1/s1
InChIKey HFHKILYRHVHVSY-NLSNZNBCSA-N
Mol Weight 712.7 g/mol
Molecular Formula C39H36O13
Exact Mass 712.215591 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cl9pz26CUH2
Name (+)-CATECHIN-3-O-BETA-D-GLUCO-(2,6-BIS-CINNAMOYL)-PYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H36O13
InChI InChI=1S/C39H36O13/c40-25-18-28(42)26-20-31(37(49-30(26)19-25)24-13-14-27(41)29(43)17-24)50-39-38(52-34(45)16-12-23-9-5-2-6-10-23)36(47)35(46)32(51-39)21-48-33(44)15-11-22-7-3-1-4-8-22/h1-19,31-32,35-43,46-47H,20-21H2/b15-11+,16-12+/t31-,32+,35+,36-,37+,38+,39+/m1/s1
InChIKey HFHKILYRHVHVSY-NLSNZNBCSA-N
Literature Reference Author J.LOKVAM,P.D.COLEY,T.A.KURSAR
Literature Reference Citation PHYTOCHEM.,65,351(2004)
Literature Reference DOI 10.1016/j.phytochem.2003.11.012
Molecular Weight 712.707 g/mol
Solvent ACETONE-D6
Source File Reference UWVN31383