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PROCYANIDIN-C4;EPICATECHIN-(4-BETA->8)-CATECHIN-(4-ALPHA->8)-CATECHIN

View entire compound with spectra: 1 NMR

PROCYANIDIN-C4;EPICATECHIN-(4-BETA->8)-CATECHIN-(4-ALPHA->8)-CATECHIN
SpectraBase Compound ID AL4iPB9WXUc
InChI InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37+,38+,39+,40-,41+,42+,43+/m0/s1
InChIKey MOJZMWJRUKIQGL-LKMJJRCWSA-N
Mol Weight 866.8 g/mol
Molecular Formula C45H38O18
Exact Mass 866.205814 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ZuvkllU56i
Name PROCYANIDIN-C4;EPICATECHIN-(4-BETA->8)-CATECHIN-(4-ALPHA->8)-CATECHIN
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H38O18
InChI InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37+,38+,39+,40-,41+,42+,43+/m0/s1
InChIKey MOJZMWJRUKIQGL-LKMJJRCWSA-N
Literature Reference Author C.M.WANG,Y.M.HSU,Y.L.JHAN,S.J.TSAI,S.X.LIN,C.H.SU,C.H.CHOU
Literature Reference Citation MOLECULES,20,12787(2015)
Literature Reference DOI 10.3390/molecules200712787
Molecular Weight 866.786 g/mol
Solvent CD3OD
Source File Reference UWPA4083