Spektraris NMR
Hexa-O-methylamentoflavone
Common Name: Hexa-O-methylamentoflavone
Synonyms: Amentoflavone hexamethyl ether, Dioonflavone
CAS Registry Number: 3778-26-5
InChI:
InChIKey:
Formula: C36H30O10
Molecular Weight: 622.626
Exact Mass: 622.1839
NMR Solvent: DMSO-d6
MHz: 500 (1H), 125 (13C)
Calibration: TMS
NMR references: Yamaguchi, L., Vassao, D., Kato, M., Mascio, P. (2005). Biflavonoids from Brazilian pine Araucaria angustifolia as potentials protective agents against DNA damage and lipoperoxidation. Phytochemistry 66, 2238-2247.
Guodong, Z. (2006). Natural Products from Selaginella. M.S. Dissertation, National University of Singapore.
Species: synthesis - Yamaguchi, L., Vassao, D., Kato, M., Mascio, P. (2005). Biflavonoids from Brazilian pine Araucaria angustifolia as potentials protective agents against DNA damage and lipoperoxidation. Phytochemistry 66, 2238-2247.
Notes: C-4" was assigned two signals in 13C-NMR data
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 3 | 6.62 | s | |
| 6 | 6.29 | d | 2 |
| 8 | 6.43 | d | 2 |
| 2' | 7.79 | d | 2 |
| 5' | 7.08 | d | 8.7 |
| 6' | 7.89 | dd | 8.7, 2 |
| 3" | 6.56 | s | |
| 6" | 6.48 | s | |
| 2''', 6''' | 7.33 | d | 8.9 |
| 3''', 5''' | 6.72 | d | 8.9 |
| OCH3 | 3.7 | s | |
| OCH3 | 3.71 | s | |
| OCH3 | 3.79 | s | |
| OCH3 | 3.85 | s | |
| OCH3 | 3.89 | s | |
| OCH3 | 4.02 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (may be reversed with 5, 7, 9, 4', 2", 5", 7", 9", 4") | 155.2 |
| 3 (may be reversed with 3") | 105.7 |
| 4 (may be reversed with 4") | 176.6 |
| 5 (may be reversed with 2,7, 9, 4', 2", 5", 7", 9", 4") | 158.9 |
| 6 | 91.8 |
| 7 (may be reversed with 2, 5, 9, 4', 2", 5", 7", 9", 4") | 159.1 |
| 8 | 90.8 |
| 9 (may be reversed with 2, 5, 7, 4', 2", 5", 7", 9", 4") | 159.5 |
| 10 (may be reversed with 10") | 105.7 |
| 1' | 122.7 |
| 2' (may be reversed with 6') | 129.5 |
| 3' | 126.3 |
| 4' (may be reversed with 2, 5, 7, 9, 2", 5", 7", 9", 4") | 159.7 |
| 5' | 110.1 |
| 6' (may be reversed with 2') | 129.6 |
| 2"(may be reversed with 2, 5, 7, 9, 4', 5", 7", 9", 4") | 159.9 |
| 3" (may be reversed with 3) | 106.9 |
| 4" (may be reversed with 2, 5, 7, 9, 4', 2", 5", 7", 9") | 162.9 |
| 4" (may be reversed with 4) | 177 |
| 5" (may be reversed with 2, 5, 7, 9, 4', 2", 7", 9", 4") | 160 |
| 6" | 95.2 |
| 7" (may be reversed with 2, 5, 7, 9, 4', 2", 5", 9", 4") | 160.9 |
| 8" | 106.9 |
| 9" (may be reversed with 2, 5, 7, 9, 4', 2", 5", 7", 4") | 161 |
| 10" (may be reversed with 10) | 105.9 |
| 1''' | 121.3 |
| 2''', 6''' | 126.6 |
| 3''', 5''' | 113.3 |
