Spektraris NMR
Epicatechin-(2β->O->7,4β->8)-ent-epicatechin
Common Name: Epicatechin-(2β->O->7,4β->8)-ent-epicatechin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26+,27-,29+,30-/m0/s1
InChIKey: InChIKey=NSEWTSAADLNHNH-VDUQXYFUSA-N
Formula: C30H24O12
Molecular Weight: 576.505514
Exact Mass: 576.126776
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Lou, H.X., Yamazaki, Y., Sasaki, T., Uchida, M., Tanaka, H., Oka, S. Phytochemistry (1999) 51, 297-308
Species:
Notes: Family : Flavonoids, Type : Proanthocyanidins; 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 (C) | 100.46 |
| 3 (CH) | 67.78 |
| 4 (CH) | 29.27 |
| 5 (C) | 156.72 |
| 6 (CH) | 98.02 |
| 7 (C) | 158.12 |
| 8 (CH) | 96.53 |
| 9 (C) | 154.17 |
| 10 (C) | 104.11 |
| 1' (C) | 132.34 |
| 2' (CH) | 115.75 |
| 3' (C) | 146.23 |
| 4' (C) | 146.23 |
| 5' (CH) | 116.26 |
| 6' (CH) | 119.9 |
| 2'' (CH) | 80.87 |
| 3'' (CH) | 67.18 |
| 4'' (CH2) | 29.5 |
| 5'' (C) | 156.63 |
| 6'' (CH) | 96.6 |
| 7'' (C) | 152.09 |
| 8'' (C) | 106.97 |
| 9'' (C) | 151.31 |
| 10'' (C) | 101.95 |
| 1''' (C) | 131.44 |
| 2''' (CH) | 115.7 |
| 3''' (C) | 145.69 |
| 4''' (C) | 146.08 |
| 5''' (CH) | 115.25 |
| 6''' (CH) | 119.97 |
