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EPICATECHIN-(4-BETA-8,2-BETA-O-7)-EPICATECHIN;A2

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EPICATECHIN-(4-BETA-8,2-BETA-O-7)-EPICATECHIN;A2
SpectraBase Compound ID 4QtYV5iQ0gq
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-VENKAECASA-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 5fRgLuwpXak
Name EPICATECHIN-(4-BETA-8,2-BETA-O-7)-EPICATECHIN;A2
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-VENKAECASA-N
Literature Reference Author L.Y.FOO,Y.LU,A.B.HOWELL,N.VORSA
Literature Reference Citation PHYTOCHEM.,54,173(2000)
Literature Reference DOI 10.1016/S0031-9422(99)00573-7
Molecular Weight 576.513 g/mol
Solvent CD3OD
Source File Reference UWLU1232