Spektraris NMR
Epicatechin-(4β->6,2β->O->7)-ent-epicatechin
Common Name: Epicatechin-(4β->6,2β->O->7)-ent-epicatechin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H24O12/c31-13-7-19(36)24-22(8-13)41-30(12-2-4-16(33)18(35)6-12)29(39)26(24)25-23(42-30)10-21-14(27(25)38)9-20(37)28(40-21)11-1-3-15(32)17(34)5-11/h1-8,10,20,26,28-29,31-39H,9H2/t20-,26+,28-,29+,30-/m0/s1
InChIKey: InChIKey=BEPYKTSNKZMROV-AMCZOZDPSA-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) | 100.57 |
| 3 (CH) | 67.65 |
| 4 (CH) | 29.79 |
| 5 (C) | 155.28 |
| 6 (CH) | 96.92 |
| 7 (C) | 158.2 |
| 8 (CH) | 96.65 |
| 9 (C) | 154.41 |
| 10 (C) | 104.27 |
| 1' (C) | 132.13 |
| 2' (CH) | 115.84 |
| 3' (C) | 145.86 |
| 4' (C) | 146.69 |
| 5' (CH) | 115.7 |
| 6' (CH) | 120.01 |
| 2'' (CH) | 79.96 |
| 3'' (CH) | 67.13 |
| 4'' (CH2) | 29.61 |
| 5'' (C) | 155.81 |
| 6'' (C) | 108.85 |
| 7'' (C) | 152.93 |
| 8'' (CH) | 96.92 |
| 9'' (C) | 152.01 |
| 10'' (C) | 102.78 |
| 1''' (C) | 132.27 |
| 2''' (CH) | 115.25 |
| 3''' (C) | 145.85 |
| 4''' (C) | 145.98 |
| 5''' (CH) | 115.93 |
| 6''' (CH) | 119.44 |
