Spektraris NMR
Epicatechin-(3′-->0-->7′′)-epiafzelechin
Common Name: Epicatechin-(3′-->0-->7′′)-epiafzelechin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H26O11/c31-15-7-21(34)17-11-25(38)30(40-26(17)8-15)14-2-4-20(33)28(6-14)39-16-9-22(35)18-12-24(37)29(41-27(18)10-16)13-1-3-19(32)23(36)5-13/h1-10,24-25,29-38H,11-12H2/t24-,25-,29-,30-/m1/s1
InChIKey: InChIKey=CJIVSFGUROCBPU-XSLCZBKOSA-N
Formula: C30H26O11
Molecular Weight: 562.521991
Exact Mass: 562.147512
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Aziz-Ur-Rehman, A.U., Malik, A., Riaz, N., Nawaz, H.R., Ahmad, H., Nawaz, S.A., Choudhary, M.I. J Nat Prod (2004) 67, 1450-4
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanols; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (CH) | 79.8 |
| 3 (CH) | 67.6 |
| 4 (CH2) | 29.2 |
| 5 (C) | 157.4 |
| 6 (CH) | 96.4 |
| 7 (C) | 156.8 |
| 8 (CH) | 96.4 |
| 9 (C) | 157.6 |
| 10 (C) | 101.3 |
| 1' (C) | 131.9 |
| 2' (CH) | 120.9 |
| 3' (C) | 142.1 |
| 4' (C) | 149.4 |
| 5' (CH) | 118.2 |
| 6' (CH) | 124.7 |
| 2'' (CH) | 79.6 |
| 3'' (CH) | 67.4 |
| 4'' (CH2) | 29 |
| 5'' (C) | 157.2 |
| 6'' (CH) | 96.6 |
| 7'' (C) | 156.8 |
| 8'' (CH) | 95.9 |
| 9'' (C) | 157.9 |
| 10'' (C) | 100.5 |
| 1''' (C) | 131.4 |
| 2''' (CH) | 116 |
| 3''' (C) | 145.4 |
| 4''' (C) | 145.9 |
| 5''' (CH) | 116.8 |
| 6''' (CH) | 119.7 |
