Spektraris NMR
Chrysocauloflavone II
Common Name: Chrysocauloflavone II
Synonyms: 4H-1-Benzopyran-4-one, 2-[4-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl]oxy]phenyl]-2,3-dihydro-5,7-dihydroxy-8-methyl-
CAS Registry Number: 899789-52-7
InChI:
InChIKey:
Formula: C31H22O10
Molecular Weight: 554.507
Exact Mass: 554.1213
NMR Solvent: DMSO-d6
MHz: 600 (1H), 150 (13C)
Calibration: not indicated
NMR references: Swamy, R., Kunert, O., Schuhly, W., Bucar, F., Ferreira, D., Rani, V., Kumar, B., Rao, A. (2006). Structurally Unique Biflavonoids from Selaginella chrysocaulos and Selaginella bryopteris. Chem. Biodiversity 3, 405-414.
Species: Selaginella chrysocaulos - Swamy, R., Kunert, O., Schuhly, W., Bucar, F., Ferreira, D., Rani, V., Kumar, B., Rao, A. (2006). Structurally Unique Biflavonoids from Selaginella chrysocaulos and Selaginella bryopteris. Chem. Biodiversity 3, 405-414.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 6 | 6.13 | brs | |
| 8 | 6.4 | brs | |
| 2' | 7.82 | d | 8.4 |
| 3' | 6.87 | d | 8.4 |
| 5' | 6.87 | d | 8.4 |
| 6' | 7.82 | d | 8.4 |
| 2" | 5.41 | d | 12.6 |
| 3" | 2.69 | dd | 16.8, 2.4 |
| 3'' | 3.16 | dd | 17.4, 13.2 |
| 6" | 5.92 | s | |
| 2''' | 7.42 | d | 8.4 |
| 3''' | 7.05 | d | 8.4 |
| 5''' | 7.05 | d | 8.4 |
| 6''' | 7.42 | d | 8.4 |
| 11'' | 1.87 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 156.6 |
| 3 | 131.8 |
| 4 | 175.9 |
| 5 | 161.1 |
| 6 | 99.3 |
| 7 | 166.1 |
| 8 | 94.3 |
| 9 | 156.9 |
| 10 | 103.4 |
| 1' | 119.8 |
| 2' | 129.9 |
| 3' | 115.8 |
| 4' | 160.7 |
| 5' | 115.8 |
| 6' | 129.9 |
| 2" | 77.9 |
| 3" | 41.9 |
| 4" | 195.2 |
| 5" | 160.2 |
| 6" | 94.6 |
| 7" | 166.3 |
| 8" | 103.4 |
| 9" | 160.2 |
| 10" | 100.9 |
| 1''' | 132.8 |
| 2''' | 127.9 |
| 3''' | 114.9 |
| 4''' | 156.7 |
| 5''' | 114.9 |
| 6''' | 127.9 |
| 11-CH3 | 7 |
