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PROCYANIDIN-B2G;EPICATECHIN-4-BETA-8-EPICATECHINE-3-O-GALLATE

View entire compound with spectra: 2 NMR

PROCYANIDIN-B2G;EPICATECHIN-4-BETA-8-EPICATECHINE-3-O-GALLATE
SpectraBase Compound ID 2flZEK8xdte
InChI InChI=1S/C37H30O16/c38-16-9-23(44)29-27(10-16)51-35(14-2-4-19(40)22(43)6-14)33(49)31(29)30-24(45)12-20(41)17-11-28(52-37(50)15-7-25(46)32(48)26(47)8-15)34(53-36(17)30)13-1-3-18(39)21(42)5-13/h1-10,12,28,31,33-35,38-49H,11H2/t28-,31-,33-,34-,35-/m1/s1
InChIKey VLFKNLZNDSEVBZ-BTWXELLASA-N
Mol Weight 730.6 g/mol
Molecular Formula C37H30O16
Exact Mass 730.153385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5vLLTykur5
Name PROCYANIDIN-B2G;EPICATECHIN-4-BETA-8-EPICATECHINE-3-O-GALLATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H30O16
InChI InChI=1S/C37H30O16/c38-16-9-23(44)29-27(10-16)51-35(14-2-4-19(40)22(43)6-14)33(49)31(29)30-24(45)12-20(41)17-11-28(52-37(50)15-7-25(46)32(48)26(47)8-15)34(53-36(17)30)13-1-3-18(39)21(42)5-13/h1-10,12,28,31,33-35,38-49H,11H2/t28-,31-,33-,34-,35-/m1/s1
InChIKey VLFKNLZNDSEVBZ-BTWXELLASA-N
Literature Reference Author I.TARASCOU,K.BARATHIEU,C.SIMON,M.A.DUCASSE,Y.ANDRE,E.FOUQUET ,E.J.DUFOURC,V.D.FRE
Literature Reference Citation MAGN.RES.CHEM.,44,868(2006)
Literature Reference DOI 10.1002/mrc.1867
Molecular Weight 730.636 g/mol
Sample ID 63427
Solvent CDCl3