Spektraris NMR
4',7''-Di-O-methylamentoflavone
Common Name: 4',7''-Di-O-methylamentoflavone
Synonyms: 4H-1-Benzopyran-4-one, 8-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-
CAS Registry Number: 34394-13-3
InChI:
InChIKey:
Formula: C32H22O10
Molecular Weight: 566.518
Exact Mass: 566.1213
NMR Solvent: DMSO-d6
MHz: 500 (1H), 90.8 (13C)
Calibration: not indicated
NMR references: Guodong, Z. (2006). Natural Products from Selaginella. M.S. Dissertation, National University of Singapore.
Silva, G., Chai, H., Gupta, M., Farnsworth, N., Cordell, G., Pezzuto, J., Beecher, C., Kinghorn, A. (1995). Cytotoxic Biflavonoids from Selaginella willdenowii. Phytochemistry 40, 129-134.
Species: Selaginella willdenowii - Guodong, Z. (2006). Natural Products from Selaginella. M.S. Dissertation, National University of Singapore.
Notes: 1H NMR also performed with acetone-d6 as solvent; see Guodong for data. 13C NMR obtained from Silva.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 3 | 6.9 | s | |
| 6 | 6.19 | d | 2.3 |
| 8 | 6.5 | d | 2.3 |
| 2' | 7.83 | d | 2.3 |
| 5' | 7.25 | d | 8.8 |
| 6' | 8.08 | dd | 2.3, 8.8 |
| 3" | 6.86 | s | |
| 6" | 6.95 | s | |
| 2''', 6''' | 8.01 | d | 8.8 |
| 3''', 5''' | 6.98 | d | 8.8 |
| 4'-OCH3 (may be interchanged with 7"-OCH3) | 3.8 | s | |
| 7"-OCH3 (may be interchanged with 4'-OCH3) | 3.82 | s | |
| 5-OH | 12.92 | s | |
| 5"-OCH3 | 13.12 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 163.3 |
| 3 | 103.8 |
| 4 | 181.7 |
| 5 | 161.4 |
| 6 | 98.8 |
| 7 | 164.1 |
| 8 | 94.1 |
| 9 | 157.3 |
| 10 | 103.5 |
| 1' | 122.4 |
| 2' | 130.2 |
| 3' | 122.1 |
| 4' | 160.5 |
| 5' | 111.7 |
| 6' | 128 |
| 2" | 164 |
| 3" | 103.1 |
| 4" | 181.9 |
| 5" | 157.9 |
| 6" | 90.8 |
| 7" | 162.7 |
| 8" | 103.5 |
| 9" | 156.9 |
| 10" | 104.6 |
| 1''' | 121.1 |
| 2''' | 128.6 |
| 3''' | 116 |
| 4''' | 161.3 |
| 5''' | 116 |
| 6''' | 128.6 |
| OCH3 | 56.4 |
| OCH3 | 55.8 |
