PROCYANIDIN-TRIMER-1;CATECHIN-(4-ALPHA-8)-CATECHIN-(4-ALPHA-8)-CATECHIN
Compound with spectra: 2 NMR
| SpectraBase Compound ID | 5FDqsex09c4 |
|---|---|
| InChI | InChI=1S/C75H68O33/c1-30(76)91-48-25-57(99-38(9)84)63-58(26-48)106-70(46-17-20-51(93-32(3)78)55(23-46)97-36(7)82)74(104-43(14)89)67(63)65-60(101-40(11)86)29-61(102-41(12)87)66-68(75(105-44(15)90)71(108-73(65)66)47-18-21-52(94-33(4)79)56(24-47)98-37(8)83)64-59(100-39(10)85)28-53(95-34(5)80)49-27-62(103-42(13)88)69(107-72(49)64)45-16-19-50(92-31(2)77)54(22-45)96-35(6)81/h16-26,28-29,62,67-71,74-75H,27H2,1-15H3/t62-,67+,68+,69+,70-,71+,74+,75-/m1/s1 |
| InChIKey | KRPGVSJJSXPITF-MEWHMCMISA-N |
| Mol Weight | 1497.3 g/mol |
| Molecular Formula | C75H68O33 |
| Exact Mass | 1496.364285 g/mol |
| Enantiomer InChIKey | KRPGVSJJSXPITF-DMFXOCCBSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | C6D6 |
| Title | Journal or Book | Year |
|---|---|---|
| 2D NMR structure elucidation of proanthocyanidins: The special case of the catechin-(4α-8)-catechin-(4α-8)-catechin trimer | Magnetic Resonance in Chemistry | 1995 |
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.