Spektraris NMR
2'-hydroxy-4,4'-dime-thoxy-5',6'-(2'',2''-dimethylpyrano)chalcone
Common Name: 2'-hydroxy-4,4'-dime-thoxy-5',6'-(2'',2''-dimethylpyrano)chalcone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H22O5/c1-22(2)12-11-16-19(26-4)13-18(24)20(21(16)27-22)17(23)10-7-14-5-8-15(25-3)9-6-14/h5-13,24H,1-4H3/b10-7+
InChIKey: InChIKey=VETSXWXDHHAXNB-JXMROGBWSA-N
Formula: C22H22O5
Molecular Weight: 366.407911
Exact Mass: 366.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tomazela, D.M., Pupo, M.T., Passador, E.A., da Silva, M.F., Vieira, P.C., Fernandes, J.B., Fo, E.R., Oliva, G., Pirani, J.R. Phytochemistry (2000) 55, 643-51
Species:
Notes: Family : Flavonoids, Type : Chalconoids; 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 |
|---|---|
| 1 (C) | 128.4 |
| 2 (CH) | 130 |
| 3 (CH) | 114.5 |
| 4 (C) | 161.1 |
| 5 (CH) | 114.5 |
| 6 (CH) | 130 |
| α (CH) | 125.2 |
| β (CH) | 142.3 |
| 1' (C) | 106.4 |
| 2' (C) | 167.5 |
| 3' (CH) | 92.7 |
| 4' (C) | 161.4 |
| 5' (C) | 103.1 |
| 6' (C) | 155.7 |
| β' (C) | 192.8 |
| 2'' (C) | 77.9 |
| 3'' (CH) | 124.5 |
| 4'' (CH) | 116.8 |
| 5'' (CH3) | 28 |
| 6'' (CH3) | 28 |
| 4a (CH3) | 55.4 |
| 4'a (CH3) | 55.8 |
