Common Name: Bilobetin
Synonyms: 4'-methylamentoflavone; 4'-Monomethylamentoflavone
CAS Registry Number: 521-32-4
InChI:
InChIKey:
Formula: C31H20O10
Molecular Weight: 552.491
Exact Mass: 552.10565
NMR Solvent: DMSO-d6
MHz: 500 (1H), 125 (13C)
Calibration: TMS
NMR references: Ryu, Y., Jeong, H., Kim, J., Kim, Y., Park, J., Kim, D., Naguyen, T., Park, S., Chang, J., Park, K., Rho, M., Lee, W. (2010). Biflavonoids from Torreya nucifera displaying SARS-CoV 3CLpro inhibition. Bioorg. Med. Chem. 18, 7940-7947.
Species: Torreya nucifera
Notes: NMR data and species from Ryu et al. Other literature containing NMR data: Guodong, Z. (2006). Natural Products from Selaginella. M.S. Dissertation, National University of Singapore.; Markham, K., Sheppard, C., Geiger, H. (1987). 13C NMR Studies of Some Naturally Occurring Amentoflavone and Hinokiflavone Biflavonoids. Phytochemistry 26, 3335-3337.; Silva, G., Chai, H., Gupta, M., Farnsworth, N., Cordell, G., Pezzuto, J., Beecher, C., Kinghorn, A. (1995). Cytotoxic Biflavonoids from Selaginella willdenowii. Phytochemistry 40, 129-134.; Wollenweber, E., Kraut, L., Mues, R. (1998). External Accumulation of Biflavonoids on Gymnosperm Leaves. Z. Naturforsch. 53c, 946-950.
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 3 | 6.91 | s | |
| 6 | 6.18 | d | 1.8 |
| 8 | 6.47 | s | |
| 2' | 8.06 | d | 2.3 |
| 5' | 7.33 | d | 9.2 |
| 6' | 8.16 | m | |
| 3" | 6.78 | s | |
| 6" | 6.37 | s | |
| 2''', 6''' | 7.5 | d | 9.2 |
| 3''', 5''' | 6.71 | d | 8.7 |
| OCH3 | 3.78 |
| Position | PPM |
|---|---|
| 2 | 163.1 |
| 3, 3" | 102.4 |
| 4 | 182 |
| 5 | 161.4 |
| 6 | 98.7 |
| 7 | 163.3 |
| 8 | 94.1 |
| 9 | 157.4 |
| 10, 8" | 103.6 |
| 1' | 122.4 |
| 2' | 127.9 |
| 3' | 121.6 |
| 4' | 160.6 |
| 5' | 111.6 |
| 6' | 130.9 |
| 2" | 164.3 |
| 4" | 181.7 |
| 5" | 160.4 |
| 6" | 98.9 |
| 7" | 162.6 |
| 9" | 154.3 |
| 10" | 103.4 |
| 1''' | 121.2 |
| 2''', 6''' | 128.1 |
| 3''', 5''' | 115.7 |
| 4''' | 161.1 |
| OCH3 | 55.8 |