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PROCYANIDIN-A1;EPICATECHIN-(4-BETA->8;2-BETA->O->7)-CATECHIN
SpectraBase Compound ID 4UyKe02ju86
InChI InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26+,27+,29+,30-/m0/s1
InChIKey NSEWTSAADLNHNH-TXZJYACMSA-N
Mol Weight 576.51 g/mol
Molecular Formula C30H24O12
Exact Mass 576.126776 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ab52cWTJIKF
Name PROCYANIDIN-A1;EPICATECHIN-(4-BETA->8;2-BETA->O->7)-CATECHIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H24O12
InChI InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26+,27+,29+,30-/m0/s1
InChIKey NSEWTSAADLNHNH-TXZJYACMSA-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 576.513 g/mol
Solvent CD3OD
Source File Reference UWPA4079