Spektraris NMR
3,7-O-diacetyl (ñ)-epicatechin
Common Name: 3,7-O-diacetyl (ñ)-epicatechin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H18O8/c1-9(20)25-12-6-15(23)13-8-18(26-10(2)21)19(27-17(13)7-12)11-3-4-14(22)16(24)5-11/h3-7,18-19,22-24H,8H2,1-2H3/t18-,19-/m1/s1
InChIKey: InChIKey=GUXBTJCMYDMXRO-RTBURBONSA-N
Formula: C19H18O8
Molecular Weight: 374.342155
Exact Mass: 374.100168
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Li, D.L., Li, X.M., Peng, Z.Y., Wang, B.G. Molecules (2007) 12, 1163-9
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) | 78.1 |
| 3 (CH) | 68.3 |
| 4 (CH2) | 26.5 |
| 5 (C) | 157.7 |
| 6 (CH) | 101.7 |
| 7 (C) | 151.6 |
| 8 (CH) | 103.6 |
| 9 (C) | 156.9 |
| 10 (C) | 104.6 |
| 1' (C) | 130.8 |
| 2' (CH) | 114.9 |
| 3' (C) | 145.8 |
| 4' (C) | 145.7 |
| 5' (CH) | 115.7 |
| 6' (CH) | 119.2 |
| 3a (C) | 170.3 |
| 3b (CH3) | 20.9 |
| 7a (C) | 169 |
| 7b (CH3) | 20.8 |
