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CATECHIN-4-ALPHA,8-CATECHIN
SpectraBase Compound ID JWaWjBBk4lV
InChI InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1
InChIKey XFZJEEAOWLFHDH-AVFWISQGSA-N
Mol Weight 578.53 g/mol
Molecular Formula C30H26O12
Exact Mass 578.142426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Ix0DJM2Ug0
Name PROCYANIDIN-B3;EPICATECHIN-(4-ALPHA->8)-CATECHIN;MAJOR-ISOMER
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H26O12
InChI InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1
InChIKey XFZJEEAOWLFHDH-AVFWISQGSA-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 578.529 g/mol
Solvent CD3OD
Source File Reference UWPA4080