Spektraris NMR
7-O-methylnaringenin-(4'→O→6")-scutellarein
Common Name: 7-O-methylnaringenin-(4'→O→6")-scutellarein
Synonyms: 4H-1-Benzopyran-4-one, 2-[4-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]oxy]phenyl]-2,3-dihydro-5-hydroxy-7-methoxy-, (2S)-
CAS Registry Number: 1831138-58-9
InChI:
InChIKey:
Formula: C31H22O10
Molecular Weight: 554.507
Exact Mass: 554.1213
NMR Solvent: DMSO-d6
MHz: 300 (1H), 75 (13C)
Calibration: TMS
NMR references: Luo, J., Zhou, W., Cao, S., Jin, M., Zhang, C., Jin, X., Cui, J., Li, G. (2015). A new biflavonoid from the whole herb of Lepisorus ussuriensis. Nat. Prod. Res. 1-7.
Species: Lepisorus ussuriensis - Luo, J., Zhou, W., Cao, S., Jin, M., Zhang, C., Jin, X., Cui, J., Li, G. (2015). A new biflavonoid from the whole herb of Lepisorus ussuriensis. Nat. Prod. Res. 1-7.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 5.54 | dd | 2.9, 12.7 |
| 3a | 3.29 | dd | 12.7, 17.1 |
| 3b | 2.74 | dd | 2.9, 17.1 |
| 5-OH | 12.1 | s | |
| 8 | 6.1 | d | 2.3 |
| 8 | 6.08 | d | 2.3 |
| 2', 6' | 7.43 | d | 8.8 |
| 3', 5' | 6.89 | d | 8.8 |
| 3" | 6.85 | s | |
| 5"-OH | 13.14 | s | |
| 8" | 6.7 | s | |
| 2''', 6''' | 7.95 | d | 8.8 |
| 3''', 5''' | 6.92 | d | 8.8 |
| OCH3 | 3.78 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 78.3 |
| 3 | 42 |
| 4 | 196.8 |
| 5 | 163.2 |
| 6 | 94.7 |
| 7 | 167.4 |
| 8 | 93.8 |
| 9 | 162.7 |
| 10 | 102.6 |
| 1' | 131.7 |
| 2', 6' | 128.3 |
| 3', 5' | 114.6 |
| 4' | 157.9 |
| 2" | 164.1 |
| 3" | 102.6 |
| 4" | 182.1 |
| 5" | 153.2 |
| 6" | 125.1 |
| 7" | 157.4 |
| 8" | 94.5 |
| 9" | 153.6 |
| 10" | 104.1 |
| 1''' | 121.1 |
| 2''', 6''' | 128.6 |
| 3''', 5''' | 116 |
| 4''' | 161.3 |
| OCH3 | 55.9 |
