Spektraris NMR
4',5,5'',7''-tetrahydroxy-3',3'',4'''-trihydroxy-6-O-β,7-α-flavone-chalcone
Common Name: 4',5,5'',7''-tetrahydroxy-3',3'',4'''-trihydroxy-6-O-β,7-α-flavone-chalcone
Synonyms: 8H-Furo[2,3-g][1]benzopyran-8-one, 3-(2,4-dihydroxy-6-methoxybenzoyl)-9-hydroxy-6-(4-hydroxy-3- methoxyphenyl)-2-(4-methoxyphenyl)-, (-)- (9CI)
CAS Registry Number: 329201-23-2
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:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 3 | 6.96 | s | |
| 8 | 7.53 | s | |
| 2' | 7.6 | d | 2 |
| 5' | 6.94 | d | 8 |
| 6' | 7.63 | dd | 8, 2 |
| 4" | 5.83 | d | 2 |
| 6" | 5.97 | d | 2 |
| 2''' | 7.55 | d | 8.3 |
| 3''' | 7 | d | 8.3 |
| 5''' | 7 | d | 8.3 |
| 6''' | 7.55 | d | 8.3 |
| OCH3-3" | 3.18 | s | |
| OCH3-3' | 3.91 | s | |
| OCH3-4''' | 3.78 | s | |
| OCH3-5 | 13.7 | s | |
| OCH3-7" | 13.51 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 164.9 |
| 3 | 102.8 |
| 4 | 183.7 |
| 5 | 153.7 |
| 6 (interchangeable with 9) | 156.6 |
| 7 | 113 |
| 8 | 91 |
| 9 (interchangeable with 6) | 154 |
| 10 | 105.6 |
| 1' | 121.3 |
| 2' | 110.6 |
| 3' | 148.3 |
| 4' | 150.9 |
| 5' | 116.1 |
| 6' | 121.6 |
| α | 151.3 |
| β | 160 |
| 1" | 192.2 |
| 2" | 106.5 |
| 3" | 163.9 |
| 4" | 92 |
| 5" | 166.8 |
| 6" | 96 |
| 7" | 167 |
| 1''' | 120.2 |
| 2''' | 127.8 |
| 3''' | 114.9 |
| 4''' | 160.4 |
| 5''' | 114.9 |
| 6''' | 127.8 |
| OCH3-3" | 56.2 |
| OCH3-3' | 56 |
| OCH3-4''' | 55.5 |
