Spektraris NMR
6,2',3",5",4'''-Pentahydroxy-3,7"-biflavone
Common Name: 6,2',3",5",4'''-Pentahydroxy-3,7"-biflavone
Synonyms: [3,7'-Bi-4H-1-benzopyran]-4,4'-dione, 3',5',6-trihydroxy-2-(2-hydroxyphenyl)-2'-(4-hydroxyphenyl)-
CAS Registry Number: 1630165-23-9
InChI:
InChIKey:
Formula: C30H18O9
Molecular Weight: 522.465
Exact Mass: 522.0951
NMR Solvent: CD3OD
MHz: 500.0
Calibration: not indicated
NMR references: Sabudak, T., Kaya, O., Cukurova, E. (2015). A new biflavonoid from Solanum dulcamara L. and investigation of anti-hyperglycaemic activity of its fruit extract. Nat. Prod. Res. 29, 308-314.
Species: Solanum dulcamara - Sabudak, T., Kaya, O., Cukurova, E. (2015). A new biflavonoid from Solanum dulcamara L. and investigation of anti-hyperglycaemic activity of its fruit extract. Nat. Prod. Res. 29, 308-314.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 5 | 7.11 | d | 2.5 |
| 7 | 6.89 | dd | 2.4, 8.3 |
| 8 | 6.51 | d | 8.3 |
| 3' | 7.68 | dd | 1.3, 7.1 |
| 4' | 7.44 | dd | 5.8, 6.6 |
| 5' | 7.63 | ddd | 2.4, 5.7, 5.7 |
| 6' | 7.53 | dd | 3.3, 5.7 |
| 2" | 7.05 | dd | 2.5, 8.3 |
| 6", 8" | 6.85 | brs | |
| 3''' | 7.42 | dd | 1.6, 8 |
| 5''' | 7.13 | dd | 2.5, 7.1 |
| 6''' | 7.35 | dd | 2.4, 7.9 |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 154.75 |
| 3 | 114.6 |
| 4 | 170.49 |
| 5 | 123.34 |
| 6 | 142.62 |
| 7 | 124.28 |
| 8 | 104.54 |
| 9 | 158.42 |
| 10 | 106.35 |
| 1' | 113.4 |
| 2' | 136.49 |
| 3' | 129.23 |
| 4' | 127.14 |
| 5' | 128.34 |
| 6' | 132.3 |
| 2" | 149.2 |
| 10" | 105.31 |
| 1''' | 122.05 |
| 2''' | 124.79 |
| 3''' | 128.15 |
| 4''' | 147.42 |
| 5''' | 124.69 |
| 6''' | 125.38 |
