John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=6BpIjZWFiy SpectraBase Spectrum ID=113WGlUhojh

(accessed ).
CATECHIN-3-O-BETA-D-GLUCOPYRANO-(4-ALPHA->8)-CATECHIN-3-O-BETA-D-GLUCO-(2-CINNAMOYL)-PYRANOSIDE
SpectraBase Compound ID 6BpIjZWFiy
InChI InChI=1S/C51H52O23/c52-18-34-40(63)42(65)44(67)50(70-34)74-48-39(37-30(60)14-23(54)15-32(37)68-46(48)22-8-10-26(56)29(59)13-22)38-31(61)17-27(57)24-16-33(45(73-47(24)38)21-7-9-25(55)28(58)12-21)69-51-49(43(66)41(64)35(19-53)71-51)72-36(62)11-6-20-4-2-1-3-5-20/h1-15,17,33-35,39-46,48-61,63-67H,16,18-19H2/b11-6+/t33-,34-,35+,39+,40-,41+,42+,43-,44-,45+,46+,48-,49+,50+,51+/m0/s1
InChIKey AEOWOANMUIQUTM-RSHMWCFMSA-N
Mol Weight 1033.0 g/mol
Molecular Formula C51H52O23
Exact Mass 1032.289939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 113WGlUhojh
Name CATECHIN-3-O-BETA-D-GLUCOPYRANO-(4-ALPHA->8)-CATECHIN-3-O-BETA-D-GLUCO-(2-CINNAMOYL)-PYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H52O23
InChI InChI=1S/C51H52O23/c52-18-34-40(63)42(65)44(67)50(70-34)74-48-39(37-30(60)14-23(54)15-32(37)68-46(48)22-8-10-26(56)29(59)13-22)38-31(61)17-27(57)24-16-33(45(73-47(24)38)21-7-9-25(55)28(58)12-21)69-51-49(43(66)41(64)35(19-53)71-51)72-36(62)11-6-20-4-2-1-3-5-20/h1-15,17,33-35,39-46,48-61,63-67H,16,18-19H2/b11-6+/t33-,34-,35+,39+,40-,41+,42+,43-,44-,45+,46+,48-,49+,50+,51+/m0/s1
InChIKey AEOWOANMUIQUTM-RSHMWCFMSA-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 1032.960 g/mol
Solvent CD3OD
Source File Reference UWVN31385
SpectraBase Batch ID DzWddDEHmv4