Spektraris NMR
Caesalpinioflavone
Common Name: Caesalpinioflavone
Synonyms: 3-(3-(2,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)-3-oxopropyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
CAS Registry Number:
InChI:
InChIKey:
Formula: C30H22O9
Molecular Weight: 526.5
Exact Mass: 526.1264
NMR Solvent: CD3OD
MHz: 500 (1H), 125 (13C)
Calibration: not indicated
NMR references: Zanin, J., Massoni, M., dos Santos, M., de Freitas, G., Niero, E., Schefer, R., Lago, J., Ionta, M., Soares, M. (2015). Caesalpinioflavone, a New Cytotoxic Biflavonoid Isolated from Caesalpinia pluviosa var. peltophoroides. J. Braz. Chem. Soc. 26, 804-809.
Species: Caesalpinia pluviosa - Zanin, J., Massoni, M., dos Santos, M., de Freitas, G., Niero, E., Schefer, R., Lago, J., Ionta, M., Soares, M. (2015). Caesalpinioflavone, a New Cytotoxic Biflavonoid Isolated from Caesalpinia pluviosa var. peltophoroides. J. Braz. Chem. Soc. 26, 804-809.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 6 | 6.19 | d | 2.5 |
| 8 | 6.24 | d | 2.5 |
| 2', 6' | 6.82 | d | 8.7 |
| 3', 5' | 7.02 | d | 8.7 |
| 2" | 4.69 | dd | 7.5, 6.5 |
| 3a" | 3.46 | dd | 14, 6.5 |
| 3b" | 3.09 | dd | 14, 7.5 |
| 5" | 7.25 | d | 9 |
| 6" | 6.15 | dd | 9, 2.5 |
| 8" | 6.19 | d | 2.5 |
| 2''', 6''' | 6.64 | d | 8.5 |
| 3''', 5''' | 6.95 | d | 8.5 |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 165.8 |
| 3 | 120.9 |
| 4 | 182.6 |
| 5 | 165.9 |
| 6 | 100.1 |
| 7 | 166.3 |
| 8 | 94.6 |
| 9 | 159.2 |
| 10 | 104.9 |
| 1' | 124.6 |
| 2', 6' | 116.3 |
| 3', 5' | 131.5 |
| 4' | 161.1 |
| 2" | 49.2 |
| 3a" | 36 |
| 3b" | 36 |
| 4" | 203.5 |
| 5" | 132.1 |
| 6" | 108.5 |
| 7" | 163 |
| 8" | 103.9 |
| 9" | 163.3 |
| 10" | 113.7 |
| 1''' | 132.1 |
| 2''', 6''' | 116.1 |
| 3''', 5''' | 131.4 |
| 4''' | 156.8 |
