Spektraris NMR
Ridiculuflavone D
Common Name: Ridiculuflavone D
Synonyms: [3,6'-Bi-4H-1-benzopyran]-4,4'-dione, 2'-(3,4-dihydroxyphenyl)-5,5',7'-trihydroxy-2-(4- hydroxyphenyl)-7-methoxy-, (-)-
CAS Registry Number: 1109222-02-7
InChI:
InChIKey:
Formula: C31H20O11
Molecular Weight: 568.49
Exact Mass: 568.1006
NMR Solvent: CD3OD
MHz: 500 (1H), 126 (13C)
Calibration: Deuterium solvents used as internal standards for 13C NMR; residual solvents used as internal standards for 1H NMR.
NMR references: Machado, M., Lopes, L. (2008). Tetraflavonoid and biflavonoids from Aristolochia ridicula. Phytochemistry 69, 3095-3102.
Species: Aristolochia ridicula - Machado, M., Lopes, L. (2008). Tetraflavonoid and biflavonoids from Aristolochia ridicula. Phytochemistry 69, 3095-3102.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 6 | 6.53 | d | 2 |
| 8 | 6.45 | d | 2 |
| 2' | 7.43 | d | 9 |
| 3' | 6.7 | d | 9 |
| 5' | 6.7 | d | 9 |
| 6' | 7.43 | d | 9 |
| 3" | 6.55 | s | |
| 8" | 6.51 | s | |
| 2''' | 7.4 | d | 1 |
| 5''' | 6.92 | d | 9 |
| 6''' | 7.41 | dd | 9, 1 |
| 7-OCH3 | 3.9 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 163.1 |
| 3 | 114.8 |
| 4 | 178.6 |
| 5 | 161.4 |
| 6 | 96.3 |
| 7 | 162.7 |
| 8 | 97.7 |
| 9 | 165.4 |
| 10 | 107.8 |
| 1' | 125.7 |
| 2' | 130.9 |
| 3' | 115.9 |
| 4' | 160.7 |
| 5' | 115.9 |
| 6' | 130.9 |
| 2" | 166.3 |
| 3" | 103.9 |
| 4" | 183.8 |
| 5" | 161.8 |
| 6" | 108 |
| 7" (may be interchanged with 9") | 164.7 |
| 8" | 94.8 |
| 9" (may be interchanged with 7") | 159 |
| 10" | 105.1 |
| 1''' | 123.8 |
| 2''' | 114.2 |
| 3''' | 147.1 |
| 4''' | 151.2 |
| 5''' | 116.8 |
| 6''' | 120.3 |
| 7-OCH3 | 56.4 |
