For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

PROCYANIDIN-B4;CATECHIN-4-ALPHA-8-EPICATECHIN

Compound with spectra: 4 NMR

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

View Spectrum of PROCYANIDIN-B4;CATECHIN-4-ALPHA-8-EPICATECHIN

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown

View Spectrum of PROCYANIDIN-B4;CATECHIN-4-ALPHA-8-EPICATECHIN

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown

View Spectrum of PROCYANIDIN-B4;CATECHIN-4-ALPHA-8-EPICATECHIN

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent D2O:DIOXANE

View Spectrum of PROCYANIDIN-B4;CATECHIN-4-ALPHA-8-EPICATECHIN

13C NMR Spectrum
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
(+)-CATECHIN-(4-BETA-8)-CATECHIN
PROCYANIDIN-B1;EPICATECHIN-4-BETA-8-CATECHIN
PROCYANIDIN-B-2;EPICATECHIN-(4-BETA->8)-EPICATECHIN
PROCYANIDIN-B2;EPICATECHIN-4-BETA-8-EPICATECHIN;EXTENDED
PA-2;PROANTHOCYANDIN_DIMER
ENT-EPICATECHIN-(4-ALPHA->8)-CATECHIN
CATECHIN-4-ALPHA,8-CATECHIN
EPIGALLOCATECHIN-(4-BETA->8)-4'-O-METHYLGALLOCATECHIN
OURATEA-PROANTHOCYANIDIN-A;EPIAFZELECHIN-(4-BETA->8)-4'-O-METHYL-(-)-EPIGALLOCATECHIN
(4-ALPHA->8)-BIS-4'-O-METHYLGALLOCATECHIN;ROTAMER_1
CALODENIN_C
GALLOCATECHIN-(4-ALPHA,6)-GALLOCATECHIN
ENT-GUIBOURTINIDOL-(4-BETA->6)-CATECHIN
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

This compound is available in the following databases:

KnowItAll NMR Spectral Library
Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.