Spektraris NMR
Delicaflavone
Common Name: Delicaflavone
Synonyms: 4H-1-Benzopyran-4-one, 3-[4-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
CAS Registry Number: 343569-15-3
InChI:
InChIKey:
Formula: C30H18O10
Molecular Weight: 538.46
Exact Mass: 538.09
NMR Solvent: acetone-d6
MHz: 500 (1H), 125 (13C)
Calibration: not indicated
NMR references: Guodong, Z. (2006). Natural Products from Selaginella. M.S. Dissertation, National University of Singapore.
Species: Selaginella ciliaris - Guodong, Z. (2006). Natural Products from Selaginella. M.S. Dissertation, National University of Singapore.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 6 | 6.31 | d | 1.9 |
| 8 | 6.6 | d | 1.9 |
| 2' | 7.95 | d | 9.2 |
| 3' | 6.97 | d | 8.8 |
| 5' | 6.97 | d | 8.8 |
| 6' | 7.95 | d | 9.2 |
| 3" | 6.69 | s | |
| 6" | 6.26 | d | 1.9 |
| 8" | 6.53 | d | 1.9 |
| 2''' | 8.01 | d | 9.3 |
| 3''' | 7.29 | d | 8.8 |
| 5''' | 7.29 | d | 8.8 |
| 6''' | 8.01 | d | 9.3 |
| 5-OH | 12.36 | s | |
| 5"-OH | 12.92 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 159.1 |
| 3 | 133.9 |
| 4 | 178.2 |
| 5 | 163.6 |
| 6 | 100.5 |
| 7 | 165.1 |
| 8 | 95.7 |
| 9 | 158.9 |
| 10 | 105.9 |
| 1' | 117.5 |
| 2' | 131.9 |
| 3' | 117.3 |
| 4' | 162.3 |
| 5' | 117.3 |
| 6' | 131.9 |
| 2" | 163.8 |
| 3" | 105.9 |
| 4" | 183.8 |
| 5" | 163.6 |
| 6" | 100.5 |
| 7" | 164 |
| 8" | 95.7 |
| 9" | 159.5 |
| 10" | 100.5 |
| 1''' | 122.3 |
| 2''' | 129.9 |
| 3''' | 117.3 |
| 4''' | 161.6 |
| 5''' | 117.3 |
| 6''' | 129.9 |
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