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-6-(4-hydroxy-3- methoxyphenyl)-3-(4-methoxyphenyl)-, (+)- (9CI)
CAS Registry Number: 329201-19-6
InChI:
InChIKey:
Formula: C33H24O11
Molecular Weight: 596.54
Exact Mass: 596.1319
NMR Solvent: DMSO-d6 (1H), DMSO-d6-CDCl3 (1:1) (13C)
MHz: 400 (1H), 100 (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 | 6.56 | s | |
| 8 | 7.14 | s | |
| 2' | 7.37 | d | 2 |
| 5' | 6.96 | d | 8.3 |
| 6' | 7.43 | dd | 8.3, 2 |
| 4" | 5.73 | d | 2 |
| 6" | 6 | d | 2 |
| 2''' | 7.58 | d | 8.3 |
| 3''' | 6.86 | d | 8.3 |
| 5''' | 6.86 | d | 8.3 |
| 6''' | 7.58 | d | 8.3 |
| OCH3-3" | 3.19 | s | |
| OCH3-3' | 3.93 | s | |
| OCH3-4''' | 3.76 | s | |
| OCH3-5 | 13.47 | s | |
| OCH3-7" | 13.5 | 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 | 113.5 |
| 8 | 91 |
| 9 (interchangeable with 6) | 154.5 |
| 10 | 105.6 |
| 1' | 122.5 |
| 2' | 110.6 |
| 3' | 147.8 |
| 4' | 151.3 |
| 5' | 116.1 |
| 6' | 120.6 |
| α | 160 |
| β | 151.8 |
| 1" | 192.2 |
| 2" | 106.4 |
| 3" | 163.9 |
| 4" | 92 |
| 5" | 166.6 |
| 6" | 96.2 |
| 7" | 168 |
| 1''' | 121.6 |
| 2''' | 128 |
| 3''' | 115.1 |
| 4''' | 161 |
| 5''' | 115.1 |
| 6''' | 128 |
| OCH3-3''' | 55.5 |
| OCH3-3" | 56.2 |
| OCH3-4' | 55 |
