Spektraris NMR
4''',5,5'',7''-tetrahydroxy-3'',3''',4'-trimethoxy-6-O-α,7-β,flavone-chalcone
Common Name: 4''',5,5'',7''-tetrahydroxy-3'',3''',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-(4-hydroxy-3- methoxyphenyl)-6-(4-methoxyphenyl)-, (+)- (9CI)
CAS Registry Number: 329201-17-4
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' | 7.59 | d | 8.3 |
| 3' | 6.89 | d | 8.3 |
| 5' | 6.89 | d | 8.3 |
| 6' | 7.59 | d | 8.3 |
| 4" | 5.76 | d | 2 |
| 6" | 6 | d | 2 |
| 2''' | 7.43 | d | 2 |
| 5''' | 6.96 | d | 8.3 |
| 6''' | 7.48 | dd | 8.3, 2 |
| OCH3-3''' | 3.94 | s | |
| OCH3-3" | 3.18 | s | |
| OCH3-4' | 3.78 | s | |
| OCH3-5 | 13.53 | s | |
| OCH3-7" | 13.53 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 164.7 |
| 3 | 102.5 |
| 4 | 183.4 |
| 5 | 153.5 |
| 6 | 156.6 |
| 7 | 113.1 |
| 8 | 90.2 |
| 9 | 154.2 |
| 10 | 105.5 |
| 1' | 121.5 |
| 2' | 127.6 |
| 3' | 114.1 |
| 4' | 159.9 |
| 5' | 114.1 |
| 6' | 127.6 |
| α | 163.3 |
| β | 151 |
| 1" | 192.2 |
| 2" | 106.4 |
| 3" | 163.6 |
| 4" | 91.3 |
| 5" | 166.6 |
| 6" | 95.9 |
| 7" | 167.1 |
| 1''' | 121.7 |
| 2''' | 109.5 |
| 3''' | 147.6 |
| 4''' | 150.7 |
| 5''' | 115.7 |
| 6''' | 120.5 |
| OCH3-3''' | 55.8 |
| OCH3-3" | 55.2 |
| OCH3-4' | 55 |
