Spektraris NMR
Preussianone
Common Name: Preussianone
Synonyms: [3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2'-(3,4-dihydroxyphenyl)-2',3'-dihydro-3',5,5',7,7'-pentahydroxy-, (2'R,3'R)-
CAS Registry Number: 1422357-36-5
InChI:
InChIKey:
Formula: C24H16O11
Molecular Weight: 480.38
Exact Mass: 480.0693
NMR Solvent: DMSO-d6
MHz: 500 (1H), 125 (13C)
Calibration: not indicated
NMR references: Messi, B., Ndjoko-Ioset, K., Hertlein-Amslinger, B., Lannang, A., Nkengfack, A., Wolfender, J., Hostettmann, K., Bringman, G. (2012). Preussianone, a New Flavanone-Chromone Biflavonoid from Garcinia preussii Engl. Molecules 17, 6114-6125.
Species: Garcinia preussii - Messi, B., Ndjoko-Ioset, K., Hertlein-Amslinger, B., Lannang, A., Nkengfack, A., Wolfender, J., Hostettmann, K., Bringman, G. (2012). Preussianone, a New Flavanone-Chromone Biflavonoid from Garcinia preussii Engl. Molecules 17, 6114-6125.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 4.95 | d | 10.7 |
| 3 | 4.43 | d | 10.7 |
| 5-OH | 11.9 | ||
| 6 | 6.08 | s | |
| 2' | 6.67 | br s | |
| 5' | 6.67 | br s | |
| 6' | 6.8 | br s | |
| 2" | 8.13 | s | |
| 5"-OH | 12.7 | ||
| 6" | 6.19 | d | 2.1 |
| 8" | 6.34 | d | 2.1 |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 82.9 |
| 3 | 71.6 |
| 4 | 198 |
| 5-OH | 162.8 |
| 6 | 95.74 |
| 7 | 165.1 |
| 8 | 98.2 |
| 9 | 160.6 |
| 10 | 100.4 |
| 1' | 127.9 |
| 2' | 115 |
| 3' | 144.7 |
| 4' | 145.6 |
| 5' | 119 |
| 6' | 115.1 |
| 2" | 156.5 |
| 3" | 115.1 |
| 4" | 179.8 |
| 5"-OH | 161.6 |
| 6" | 98.9 |
| 7"-OH | 164.2 |
| 8" | 93.7 |
| 9" | 157.5 |
| 10" | 104.3 |
