Spektraris NMR
Sulcatone A
Common Name: Sulcatone A
Synonyms: 4H-1-Benzopyran-4-one, 2-[3-[4-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenoxy]-4-hydroxyphenyl]-2,3-dihydro-3,5,7-trihydroxy-, (-)-
CAS Registry Number: 866824-57-9
InChI:
InChIKey:
Formula: C30H20O11
Molecular Weight: 556.479
Exact Mass: 556.1006
NMR Solvent: acetone-d6
MHz: 400 (1H), 100 (13C)
Calibration: TMS
NMR references: Pegnyemb, D., Mbing, J., Atchade, A., Tih, R., Sondengam, B., Blond, A., Bodo, B. (2005). Antimicrobial biflavonoids from the aerial parts of Ouratea sulcata. Phytochemistry 66, 1922-1926.
Species: Ouratea sulcata - Pegnyemb, D., Mbing, J., Atchade, A., Tih, R., Sondengam, B., Blond, A., Bodo, B. (2005). Antimicrobial biflavonoids from the aerial parts of Ouratea sulcata. Phytochemistry 66, 1922-1926.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 5.11 | d | 11.8 |
| 3 | 4.62 | d | 11.8 |
| 6 (may be reversed with 8) | 5.98 | d | 2.2 |
| 8 (may be reversed with 6) | 6.02 | d | 2.4 |
| 2' | 7.36 | d | 2.2 |
| 5' | 7.16 | d | 8.6 |
| 6' | 7.38 | dd | 2.2, 8.6 |
| 3'' | 6.68 | s | |
| 6'' (may be reversed with 8'') | 6.24 | d | 2.4 |
| 8'' (may be reversed with 6'') | 6.53 | d | 2.4 |
| 2''' | 7.79 | d | 8.8 |
| 3''' | 7.08 | d | 8.8 |
| 5''' | 7.08 | d | 8.8 |
| 6''' | 7.79 | d | 8.8 |
| 4'''-OH | 8.78 | s | |
| 7''-OH | 9.63 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 83.7 |
| 3 | 73 |
| 4 | 197.6 |
| 10 | 101.5 |
| 5 | 164.7 |
| 6 (may be reversed with 8) | 97.2 |
| 7 | 168.2 |
| 8 (may be reversed with 6) | 96 |
| 9 | 164 |
| 1' | 130.4 |
| 2' | 122.4 |
| 3' | 142.3 |
| 4' | 150.6 |
| 5' | 118 |
| 6' | 126.9 |
| 2'' | 164.7 |
| 3'' | 105.2 |
| 4'' | 182.9 |
| 10'' | 105 |
| 5'' | 163.7 |
| 6'' (may be reversed with 8'') | 99.7 |
| 7'' | 165.1 |
| 8'' (may be reversed with 6'') | 94.8 |
| 9'' | 158.8 |
| 1''' | 130.5 |
| 2''' | 129.1 |
| 3''' | 117.4 |
| 4''' | 162.1 |
| 5''' | 117.4 |
| 6''' | 129.1 |
