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3'-O-CINNAMOYLPROCYANIDIN-A-2;EPICATECHIN-(2-BETA->O->7',4-BETA->8')-EPICATECHIN-3'-O-CINNAMATE
SpectraBase Compound ID Fd0JhjZRLL8
InChI InChI=1S/C39H30O13/c40-21-14-28(46)33-29(15-21)51-39(20-8-10-24(42)27(45)13-20)38(48)35(33)34-30(52-39)17-25(43)22-16-31(49-32(47)11-6-18-4-2-1-3-5-18)36(50-37(22)34)19-7-9-23(41)26(44)12-19/h1-15,17,31,35-36,38,40-46,48H,16H2/b11-6+/t31-,35-,36-,38-,39+/m0/s1
InChIKey CUSOOPMZIJVVAK-ZRDRAVLWSA-N
Mol Weight 706.7 g/mol
Molecular Formula C39H30O13
Exact Mass 706.168641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9wac2fObYXF
Name 3'-O-CINNAMOYLPROCYANIDIN-A-2;EPICATECHIN-(2-BETA->O->7',4-BETA->8')-EPICATECHIN-3'-O-CINNAMATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H30O13
InChI InChI=1S/C39H30O13/c40-21-14-28(46)33-29(15-21)51-39(20-8-10-24(42)27(45)13-20)38(48)35(33)34-30(52-39)17-25(43)22-16-31(49-32(47)11-6-18-4-2-1-3-5-18)36(50-37(22)34)19-7-9-23(41)26(44)12-19/h1-15,17,31,35-36,38,40-46,48H,16H2/b11-6+/t31-,35-,36-,38-,39+/m0/s1
InChIKey CUSOOPMZIJVVAK-ZRDRAVLWSA-N
Literature Reference Author B.N.SU,B.Y.HWANG,H.CHAI,E.J.CARCACHE-BLANCO,L.B.S.KARDONO,J. J.AFRIASTINI,S.RISWA
Literature Reference Citation J.NAT.PROD.,67,1911(2004)
Literature Reference DOI 10.1021/np040134g
Molecular Weight 706.659 g/mol
Solvent CDCl3
Source File Reference UWMZ6771