Spektraris NMR
(2R,3S)volkensiflavone-7-O-rhamnopyranoside.
Common Name: (2R,3S)volkensiflavone-7-O-rhamnopyranoside.
Synonyms: [3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 7'-[(6-deoxy-α-L-mannopyranosyl)oxy]-2,3-dihydro-5,5',7-trihydroxy-2,2'-bis(4-hydroxyphenyl)-, (2R,3S)-
CAS Registry Number: 1612798-77-2
InChI:
InChIKey:
Formula: C36H30O14
Molecular Weight: 686.622
Exact Mass: 686.1636
NMR Solvent: DMSO-d6
MHz: 500 (1H), 125 (13C)
Calibration: TMS
NMR references: Jamila, N., Khairuddean, M., Khan, S., Khan, N. (2014). Complete NMR assignments of bioactive rotameric (3→8) biflavonoids from the bark of Garcinia hombroniana. Magn. Reson. Chem. 52, 345-352.
Species: Jamila, N., Khairuddean, M., Khan, S., Khan, N. (2014). Complete NMR assignments of bioactive rotameric (3→8) biflavonoids from the bark of Garcinia hombroniana. Magn. Reson. Chem. 52, 345-352.
Notes: 1H NMR also recorded with MeOD-d4 as solvent.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 5.51 | d | 12 |
| 3 | 5.15 | d | 12 |
| 5-OH | 12.2 | s | |
| 6 | 6.02 | d | 2 |
| 8 | 6.06 | d | 2 |
| 2' | 7.08 | d | 8 |
| 3' | 6.36 | d | 8.5 |
| 5' | 6.36 | d | 8.5 |
| 6' | 7.08 | d | 8 |
| 3" | 6.88 | s | |
| 5"-OH | 13.1 | s | |
| 6" | 6.66 | m | |
| 2''' | 8.01 | d | 9 |
| 3''' | 6.97 | d | 9 |
| 5''' | 6.97 | d | 9 |
| 6''' | 8.01 | d | 9 |
| Rha-1 | 5.35 | s | |
| Rha-2 | 3.58 | brs | |
| Rha-3 | 3.73 | brs | |
| Rha-4 | 3.4 | m | |
| Rha-5 | 3.49 | m | |
| Rha-6 | 1.18 | d | 7 |
| 2 | 5.66 | d | 12.5 |
| 3 | 5.04 | d | 12.5 |
| 5-OH | 12.1 | s | |
| 6 | 5.96 | d | 2 |
| 8 | 5.96 | d | 2 |
| 2' | 7.08 | d | 8 |
| 3' | 6.61 | m | |
| 5' | 6.61 | m | |
| 6' | 7.08 | d | 8 |
| 3" | 6.73 | s | |
| 5"-OH | 13 | s | |
| 6" | 6.45 | s | |
| 2''' | 7.66 | d | 9 |
| 3''' | 6.64 | m | |
| 4''' | 6.64 | m | |
| 6''' | 7.66 | d | 9 |
| Rha-1 | 5.27 | brs | |
| Rha-4 | 3.3 | m | |
| Rha-5 | 3.3 | m | |
| Rha-6 | 1.07 | d | 7 |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 81.6 |
| 3 | 48.1 |
| 4 | 196 |
| 5 | 163.9 |
| 6 | 96.4 |
| 7 | 167.1 |
| 8 | 96.4 |
| 9 | 162.7 |
| 10 | 101.7 |
| 1' | 127.8 |
| 2' | 128.3 |
| 3' | 114.5 |
| 4' | 157.5 |
| 5' | 114.5 |
| 6' | 128.3 |
| 2" | 164.2 |
| 3" | 103.2 |
| 4" | 181.9 |
| 5" | 161.3 |
| 6" | 97.9 |
| 7" | 159.8 |
| 8" | 102.4 |
| 9" | 154.5 |
| 10" | 105 |
| 1''' | 120.9 |
| 2''' | 129 |
| 3''' | 115.9 |
| 4''' | 160.9 |
| 5''' | 115.9 |
| 6''' | 129 |
| Rha-1 | 100.2 |
| Rha-2 | 71.8 |
| Rha-3 | 69.6 |
| Rha-4 | 70.2 |
| Rha-5 | 70.3 |
| Rha-6 | 17.8 |
| 2 | 81.3 |
| 3 | 47.9 |
| 4 | 195.8 |
| 5 | 163.8 |
| 6 | 95.4 |
| 7 | 166.7 |
| 8 | 95.4 |
| 9 | 162.5 |
| 10 | 101.3 |
| 1' | 127.5 |
| 2' | 128.2 |
| 3' | 114.4 |
| 4' | 157.3 |
| 5' | 114.4 |
| 6' | 128.2 |
| 2" | 164 |
| 3" | 102.4 |
| 4" | 181.8 |
| 5" | 161.1 |
| 6" | 97.2 |
| 7" | 159.5 |
| 8" | 102.2 |
| 9" | 153.7 |
| 10" | 104.5 |
| 1''' | 120.5 |
| 2''' | 128.6 |
| 3''' | 115.6 |
| 4''' | 160.5 |
| 5''' | 115.6 |
| 6''' | 128.6 |
| Rha-1 | 100 |
| Rha-2 | 71.4 |
| Rha-3 | 69.4 |
| Rha-4 | 70 |
| Rha-5 | 70.2 |
| Rha-6 | 17.8 |
