PROCYANIDIN-B4;CATECHIN-4-ALPHA-8-EPICATECHIN
Compound with spectra: 4 NMR
| 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
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
(+)-AFZELECHIN-(4-ALPHA->8)-AFZELECHIN-(4-ALPHA->8)-AFZELECHIN
CALODENIN_C
GALLOCATECHIN-(4-ALPHA,6)-GALLOCATECHIN
| 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 |
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.