Spektraris NMR
Gnidia biflavonoid 4 (GB-4)
Common Name: Gnidia biflavonoid 4 (GB-4)
Synonyms: [3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2,2',3,3'-tetrahydro-3',5,5',7,7'-pentahydroxy-2-(4- hydroxyphenyl)-2'-(3,4,5-trihydroxyphenyl)-, (2R,2'R,3S,3'R)-;
CAS Registry Number: 645401-66-7
InChI:
InChIKey:
Formula: C30H22O13
Molecular Weight: 590.49
Exact Mass: 590.106
NMR Solvent: DMSO-d6
MHz: 499.87 (1H), 125.70 (13C)
Calibration: TMS
NMR references: Ferrari, J., Terreaux, C., Kurtain, T., Szikszai-Kiss, A., Antus, S., Msonthi, J., Hostettmann, K. (2003). Isolation and On-Line LC/CD Analysis of 3,8"-Linked Biflavonoids from Gnidia involucrata. Helv. Chim. Acta 86, 2768-2778.
Species: Gnidia involucrata - Ferrari, J., Terreaux, C., Kurtain, T., Szikszai-Kiss, A., Antus, S., Msonthi, J., Hostettmann, K. (2003). Isolation and On-Line LC/CD Analysis of 3,8"-Linked Biflavonoids from Gnidia involucrata. Helv. Chim. Acta 86, 2768-2778.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 5.63 | d | 11.5 |
| 3 | 4.51 | d | 11.5 |
| 6 | 5.85 | m | |
| 8 | 5.85 | m | |
| 2' | 7.18 | d | 8 |
| 3' | 6.81 | d | 8 |
| 5' | 6.81 | d | 8 |
| 6' | 7.18 | d | 8 |
| 2" | 4.81 | d | 12 |
| 3" | 3.95 | d | 12 |
| 6" | 5.91 | m | |
| 2''' | 6.45 | s | |
| 6''' | 6.45 | s | |
| OH-C(5)/C(5") | 12.19 | s | |
| OH-C(5)/C(5") | 11.94 | s | |
| other OHs range | 11.5 | ||
| other OHs range | 10.6 |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (may be interchanged with 2") | 83.4 |
| 3 | 47.1 |
| 4 (C=O) (may be interchanged with 4" (C=O)) | 196.8 |
| 5 (may be interchanged with 7, 9, 5", 7", 9") | 163 |
| 6 (may be interchanged with 8, 6") | 96.3 |
| 7 (may be interchanged with 5, 9, 5", 7", 9") | 166.6 |
| 8 (may be interchanged with 6, 6") | 95.2 |
| 9 (may be interchanged with 5, 7, 5", 7", 9") | 162.4 |
| 10 (may be interchanged with 8", 10") | 101.5 |
| 1' (may be interchanged with 1''') | 127.5 |
| 2' | 128.8 |
| 3' | 115.2 |
| 4' | 158 |
| 5' | 115.2 |
| 6' | 128.8 |
| 2" (may be interchanged with 2) | 81.7 |
| 3" | 72.2 |
| 4" (C=O) (may be interchanged with 4 (C=O)) | 197.8 |
| 5" (may be interchanged with 5, 7, 9, 7", 9") | 162.4 |
| 6" (may be interchanged with 6, 8) | 96.3 |
| 7" (may be interchanged with 5, 7, 9, 5", 9") | 163.8 |
| 8" (may be interchanged with 10, 10") | 100.4 |
| 9" (may be interchanged with 5, 7, 9, 5", 7") | 160.4 |
| 10" (may be interchanged with 10, 8") | 101.5 |
| 1''' (may be interchanged with 1') | 127.9 |
| 2''' | 107 |
| 3''' | 145.9 |
| 4''' | 133.8 |
| 5''' | 145.9 |
| 6''' | 107 |
