Spektraris NMR
3,3?,4?,5,7-O-Pentaacetyl (ñ)-epicatechin
Common Name: 3,3?,4?,5,7-O-Pentaacetyl (ñ)-epicatechin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H24O11/c1-12(26)31-18-9-21(33-14(3)28)19-11-24(35-16(5)30)25(36-22(19)10-18)17-6-7-20(32-13(2)27)23(8-17)34-15(4)29/h6-10,24-25H,11H2,1-5H3/t24-,25-/m1/s1
InChIKey: InChIKey=BKYWAYNSDFXIPL-JWQCQUIFSA-N
Formula: C25H24O11
Molecular Weight: 500.45243
Exact Mass: 500.131862
NMR Solvent: CDCl3
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) | 77.6 |
| 3 (CH) | 68.3 |
| 4 (CH2) | 23.9 |
| 5 (C) | 149.4 |
| 6 (CH) | 108.7 |
| 7 (C) | 149.8 |
| 8 (CH) | 107.7 |
| 9 (C) | 154.4 |
| 10 (C) | 110.2 |
| 1' (C) | 136.1 |
| 2' (CH) | 121.7 |
| 3' (C) | 142.1 |
| 4' (C) | 142.1 |
| 5' (CH) | 123.7 |
| 6' (CH) | 124.4 |
| 3a (C) | 170.1 |
| 3b (CH3) | 21.1 |
| 5a (C) | 169 |
| 5b (CH3) | 20.9 |
| 7a (C) | 168.3 |
| 7b (CH3) | 20.7 |
| 3'a (C) | 168 |
| 3'b (CH3) | 20.6 |
| 4'a (C) | 168 |
| 4'b (CH3) | 20.6 |
