Common Name: Sciadopitysin
Synonyms: 7,4',4'''-Trimethylamentoflavone
CAS Registry Number: 521-34-6
InChI:
InChIKey:
Formula: C33H24O10
Molecular Weight: 580.545
Exact Mass: 580.137
NMR Solvent: DMSO-d6 (1H), methanol-d3 (13C)
MHz: 400 (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.
Wollenweber, E., Kraut, L., Mues, R. (1998). External Accumulation of Biflavonoids on Gymnosperm Leaves. Z. Naturforsch. 53c, 946-950.
Species: Torreya nucifera - 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.
Notes: 1H NMR obtained from Wollenweber, E., Kraut, L., Mues, R. (1998). External Accumulation of Biflavonoids on Gymnosperm Leaves. Z. Naturforsch. 53c, 946-950. 13C NMR data obtained from Ryu et al.
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 3 | 7 | s | |
| 6 | 6.35 | d | 2.2 |
| 8 | 6.79 | d | 2.2 |
| 2' | 8.07 | d | 2.4 |
| 5' | 7.35 | d | 8.9 |
| 6' | 8.21 | dd | 2.5, 8.8 |
| 3" | 6.87 | s | |
| 6" | 6.37 | s | |
| 2''', 6''' | 7.59 | d | 9 |
| 3''', 5''' | 6.92 | d | 9 |
| 5-OH | 12.91 | s | |
| 5"-OH | 13.03 | s | |
| 7-OCH3 | 3.82 | s | |
| 4'-OCH3 | 3.78 | s | |
| 4'''-OCH3 | 3.75 | s |
| Position | PPM |
|---|---|
| 2 | 163.1 |
| 3 | 103.8 |
| 4 | 182.3 |
| 5 | 161.5 |
| 6 | 95.5 |
| 7 | 164.3 |
| 8 | 94.1 |
| 9, 5" | 160.3 |
| 10 | 104.6 |
| 1' | 122.6 |
| 2' | 128.3 |
| 3' | 121.2 |
| 4' | 161.4 |
| 5' | 111.8 |
| 6' | 153.4 |
| 2" | 163.4 |
| 3" | 103.2 |
| 4" | 181.7 |
| 6" | 98.9 |
| 7" | 162.6 |
| 8" | 104.1 |
| 9" | 157.4 |
| 10" | 103.7 |
| 1''' | 122.7 |
| 2''', 6''' | 127.9 |
| 3''', 5''' | 114.5 |
| 4''' | 162.3 |
| OCH3 | 55.5 |
| OCH3 | 55.9 |
| OCH3 | 56.5 |