Spektraris NMR
Mesuaferrone B
Common Name: Mesuaferrone B
Synonyms: [8,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2,3-dihydro-5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2S)-
CAS Registry Number: 43043-20-5
InChI:
InChIKey:
Formula: C30H20O10
Molecular Weight: 540.48
Exact Mass: 540.1057
NMR Solvent: pyridine-d5
MHz: 400 (1H), 100 (13C)
Calibration: not indicated
NMR references: Shrestha, S., Park, J., Lee, D., Cho, J., Cho, S., Yang, H., Yong, H., Yoon, M., Han, D., Baek, N. (2012). Rhus parviflora and its biflavonoid constituent, rhusflavone, induce sleep through the positive allosteric modulation of GABAA-benzodiazepine receptors. J. Ethnopharmacol. 142, 213-220.
Species: Rhus parviflora - Shrestha, S., Park, J., Lee, D., Cho, J., Cho, S., Yang, H., Yong, H., Yoon, M., Han, D., Baek, N. (2012). Rhus parviflora and its biflavonoid constituent, rhusflavone, induce sleep through the positive allosteric modulation of GABAA-benzodiazepine receptors. J. Ethnopharmacol. 142, 213-220.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 5.26 | dd | 14, 3.6 |
| 3 | 3.1 | m | |
| 3' | 2.75 | m | |
| 6 | 6.49 | s | |
| 2', 6' | 7.5 | br d | 8.4 |
| 3', 5' | 7.19 | br d | 8.4 |
| 3" | 6.82 | s | |
| 6" | 6.95 | s | |
| 2''', 6''' | 7.85 | br d | 8.4 |
| 3''', 5''' | 7.18 | br d | 8.4 |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 79.6 |
| 3 | 43.29 |
| 4 | 196.37 |
| 5 | 163.71 |
| 6 | 95.86 |
| 7 | 167.35 |
| 8 | 103 |
| 9 | 163.27 |
| 10 | 102.55 |
| 1' | 129.8 |
| 2', 6', 2''', 6''' | 128.74 |
| 3', 5' | 116.75 |
| 4' | 159.45 |
| 2" | 164.21 |
| 3" | 103.8 |
| 4" | 182.75 |
| 5", 7" | 164.84 |
| 6" | 94.48 |
| 8" | 105.06 |
| 9" | 157.77 |
| 10" | 105.66 |
| 1''' | 122.35 |
| 3''', 5''' | 116.35 |
| 4''' | 162.49 |
