Spektraris NMR
Epicatechin 8-C-β-D-galactopyranoside
Common Name: Epicatechin 8-C-β-D-galactopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O11/c22-6-14-16(28)17(29)18(30)21(31-14)15-12(26)5-10(24)8-4-13(27)19(32-20(8)15)7-1-2-9(23)11(25)3-7/h1-3,5,13-14,16-19,21-30H,4,6H2/t13-,14-,16+,17+,18-,19-,21+/m1/s1
InChIKey: InChIKey=XWDHVYPMZCGHNM-FNJMPTQDSA-N
Formula: C21H24O11
Molecular Weight: 452.409486
Exact Mass: 452.131862
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Hatano, T., Miyatake, H., Natsume, M., Osakabe, N., Takizawa, T., Ito, H., Yoshida, T. Phytochemistry (2002) 59, 749-58
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) | 80.9 |
| 3 (CH) | 68.2 |
| 4 (CH2) | 30.5 |
| 5 (C) | 158.9 |
| 6 (CH) | 98.2 |
| 7 (C) | 157.9 |
| 8 (C) | 105.8 |
| 9 (C) | 155.4 |
| 10 (C) | 100.5 |
| 1' (C) | 133.2 |
| 2' (CH) | 116 |
| 3' (C) | 146.8 |
| 4' (C) | 146.5 |
| 5' (CH) | 116.9 |
| 6' (CH) | 119.8 |
| 1'' (CH) | 77.7 |
| 2'' (CH) | 73.1 |
| 3'' (CH) | 77 |
| 4'' (CH) | 71.4 |
| 5'' (CH) | 81.1 |
| 6'' (CH2) | 63.8 |
