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PROCYANIDIN-B4;CATECHIN-4-ALPHA-8-EPICATECHIN
SpectraBase Compound ID bPmEdyVS04
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-/m1/s1
InChIKey XFZJEEAOWLFHDH-VUGKQVTMSA-N
Mol Weight 578.53 g/mol
Molecular Formula C30H26O12
Exact Mass 578.142426 g/mol
Enantiomer InChIKey XFZJEEAOWLFHDH-MEGPWYFRSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent D2O:DIOXANE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • CATECHIN-4-ALPHA,8-EPICATECHIN
  • CATECHIN-(4-ALPHA->8)-EPICATECHIN;EXTENDED-CONFORMER
  • CATECHIN-(4-ALPHA->8)-EPICATECHIN;COMPACT-CONFORMER
Title Journal or Book Year
A 3D structural and conformational study of procyanidin dimers in water and hydro-alcoholic media as viewed by NMR and molecular modeling Magnetic Resonance in Chemistry 2006
Conformational isomerism of phenolic procyanidins: preferred conformations in organic solvents and water Journal of the Chemical Society, Perkin Transactions 2 1997

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