Spektraris NMR
3''',5,5'',7''-tetrahydroxy-3'',4',4'''-trimethoxy-6-O-α,7-β-flavone-chalcone
Common Name: 3''',5,5'',7''-tetrahydroxy-3'',4',4'''-trimethoxy-6-O-α,7-β-flavone-chalcone
Synonyms: 8H-Furo[2,3-g][1]benzopyran-8-one, 2-(2,4-dihydroxy-6-methoxybenzoyl)-9-hydroxy-3-(3-hydroxy-4- methoxyphenyl)-6-(4-methoxyphenyl)-, (+)- (9CI)
CAS Registry Number: 329201-21-0
InChI:
InChIKey:
Formula: C33H24O11
Molecular Weight: 596.54
Exact Mass: 596.1319
NMR Solvent: DMSO-d6-CDCl3 (1:1)
MHz: 200 (1H), 50 (13C)
Calibration: not indicated
NMR references: Carneiro, F., Boralle, N., Silva, D., Lopes, L. (2000). Bi- and tetraflavonoids from Aristolochia ridicula. Phytochemistry 55, 823-832.
Species: Aristolochia ridicula - Carneiro, F., Boralle, N., Silva, D., Lopes, L. (2000). Bi- and tetraflavonoids from Aristolochia ridicula. Phytochemistry 55, 823-832.
Notes: 13C signals assigned by means of 2D NMR experiments
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 3 | 6.65 | s | |
| 8 | 7.22 | s | |
| 2' | 7.57 | d | 8.3 |
| 3' | 6.89 | d | 8.3 |
| 5' | 6.89 | d | 8.3 |
| 6' | 7.57 | d | 8.3 |
| 4" | 5.76 | d | 2 |
| 6" | 5.99 | d | 2 |
| 2''' | 7.43 | d | 2 |
| 5''' | 6.96 | d | 8.3 |
| 6''' | 7.49 | dd | 8.3, 2 |
| OCH3-3" | 3.22 | s | |
| OCH3-4' | 3.75 | s | |
| OCH3-4''' | 3.9 | s | |
| OCH3-5 | 13.54 | s | |
| OCH3-7" | 13.51 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 164.7 |
| 3 | 102.5 |
| 4 | 183.3 |
| 5 | 153.5 |
| 6 (interchangeable with 9) | 156.6 |
| 7 | 113.1 |
| 8 | 90.1 |
| 9 (interchangeable with 6) | 154.2 |
| 10 | 105.5 |
| 1' | 121.5 |
| 2' | 127.5 |
| 3' | 114.1 |
| 4' | 159.9 |
| 5' | 114.1 |
| 6' | 127.5 |
| α | 164 |
| β | 151 |
| 1" | 192 |
| 2" | 106.4 |
| 3" | 163.5 |
| 4" | 91.3 |
| 5" | 166.6 |
| 6" | 95.9 |
| 7" | 167 |
| 1''' | 121.7 |
| 2''' | 109.6 |
| 3''' | 147.8 |
| 4''' | 150.7 |
| 5''' | 115.8 |
| 6''' | 120.4 |
| OCH3-3" | 55.3 |
| OCH3-4' | 55 |
| OCH3-4''' | 55.8 |
