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EPICATECHIN-(4-BETA->8)-EPICATECHIN-(4-BETA->8)-EPICATECHIN;PROCYANIDIN-C1
SpectraBase Compound ID 9n2PmLfrmg8
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-/m1/s1
InChIKey MOJZMWJRUKIQGL-XILRTYJMSA-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 3srGQ7Spt60
Name PROCYANIDIN-C1;EPICATECHIN-(4-BETA->8)-EPICATECHIN-(4-BETA->8)-EPICATECHIN
Compound Number 5
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-/m1/s1
InChIKey MOJZMWJRUKIQGL-XILRTYJMSA-N
Literature Reference Author S.WIESNETH,F.PETEREIT,G.JUERGENLIEMK
Literature Reference Citation MOLECULES,20,13764(2015)
Literature Reference DOI 10.3390/molecules200813764
Molecular Weight 866.786 g/mol
Solvent CD3OD:D2O=7:3
Source File Reference UWPA4114