Spektraris NMR
Robustaflavone 4',7''-dimethyl ether
Common Name: Robustaflavone 4',7''-dimethyl ether
Synonyms: 4H-1-Benzopyran-4-one, 6-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-
CAS Registry Number: 178405-53-3
InChI:
InChIKey:
Formula: C32H22O10
Molecular Weight: 566.518
Exact Mass: 566.1213
NMR Solvent: DMSO-d6
MHz: 250 (1H), 62.5 (13C), 125 (proton-coupled 13C)
Calibration: not indicated
NMR references: He, K., Timmermann, B., Aladesanmi, A., Zeng, L. (1996). A Biflavonoid from Dysoxylum lenticellare Gillespie. Phytochemistry 42, 1199-1201.
Guodong, Z. (2006). Natural Products from Selaginella. M.S. Dissertation, National University of Singapore.
Species: Dysoxylum lenticellare - He, K., Timmermann, B., Aladesanmi, A., Zeng, L. (1996). A Biflavonoid from Dysoxylum lenticellare Gillespie. Phytochemistry 42, 1199-1201.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 3 | 6.85 | s | |
| 6 | 6.18 | d | 2.1 |
| 8 | 6.47 | d | 2.1 |
| 2' | 7.83 | d | 2.5 |
| 5' | 7.22 | d | 8.8 |
| 6' | 8.06 | dd | 8.8, 2.5 |
| 3" | 6.89 | s | |
| 8" | 6.94 | s | |
| 2''', 6''' | 7.99 | d | 8.9 |
| 3''', 5''' | 6.94 | d | 8.9 |
| 5-OH | 12.94 | s | |
| 5"-OH | 13.12 | s | |
| 7,4'''-OH | 10.82 | s | |
| 7,4'''-OH | 10.41 | s | |
| 4'-OCH3 | 3.78 | s | |
| 7"-OCH3 | 3.8 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (multiplicity determined by DEPT) | 163.3 |
| 3 (may be interchanged with 3") | 103.2 |
| 4 | 181.8 |
| 5 | 161.4 |
| 6 | 98.9 |
| 7 | 164.2 |
| 8 | 94.1 |
| 9 | 156.9 |
| 10 | 103.8 |
| 1' | 122.2 |
| 2' | 130.2 |
| 3' | 122.5 |
| 4' | 160.5 |
| 5' | 111.8 |
| 6' | 128 |
| OCH3 | 55.9 |
| 2" | 164 |
| 3" (may be interchanged with 3) | 103.6 |
| 4" | 182 |
| 5" | 157.9 |
| 6" | 109.1 |
| 7" | 162.8 |
| 8" | 90.8 |
| 9" | 156.4 |
| 10" | 104.6 |
| 1''' | 121.1 |
| 2''' | 128.6 |
| 3''' | 116 |
| 4''' | 161.3 |
| 5''' | 116 |
| 6''' | 128.6 |
| OCH3 | 56.4 |
