Spektraris NMR
Tetramethylamentoflavone
Common Name: Tetramethylamentoflavone
Synonyms: 4',4''',7,7''-Tetra-O-methylamentoflavone
CAS Registry Number: 22783-08-0
InChI:
InChIKey:
Formula: C34H26O10
Molecular Weight: 594.569
Exact Mass: 594.1526
NMR Solvent: DMSO-d6
MHz: 400 (1H), 20 (13C)
Calibration: not indicated
NMR references: Li, S., Zhao, M., Li, Y., Sui, Y., Yao, H., Huang, L., Lin, X. (2014). Preparative Isolation of six Anti-Tumour Biflavonoids from Selaginella Doederleinii Hieron by High-Speed Counter-Current Chromatography. Phytochem. Anal. 25, 127-133.
Markham, K., Sheppard, C., Geiger, H. (1987) . 13C NMR Studies of some naturally occurring Amentoflavone and Hinokiflavone Biflavonoids. Phytochemistry 26, 3335-3337.
Species: See Notes.
Notes: 1H NMR obtained from Li et al. (isolated from S. doederleinii). 13C NMR data from Markham et al. (compound was synthesized).
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 3 | 7.06 | s | |
| 5 | 6.7 | s | |
| 7-OCH3 | 3.83 | s | |
| 2', 6' | 7.61 | d | 8.8 |
| 3', 5' | 6.93 | d | 8.8 |
| 4'-OCH3 | 3.8 | s | |
| 3" | 6.95 | s | |
| 6" | 6.37 | d | 1.6 |
| 7"-OCH3 | 3.76 | s | |
| 8" | 6.78 | d | 1.6 |
| 2''' | 8.1 | d | 1.6 |
| 4'''-OCH3 | 3.84 | s | |
| 5''' | 7.38 | d | 8.4 |
| 6''' | 8.23 | dd | 8.4, 1.6 |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (may be reversed with 2") | 162.5 |
| 3 (may be reversed with 10, 3", 8", 10") | 103.1 |
| 4 (may be reversed with 4") | 181.9 |
| 5 (may be reversed with 4', 5", 7", 4''') | 161.4 |
| 6 (may be reversed with 6") | 98 |
| 7 (may be reversed with 2, 2") | 165.1 |
| 8 | 92.7 |
| 9 | 157 |
| 10 (may be reversed with 3, 3", 8", 10") | 104.7 |
| 1' (may be reversed with 3', 1''') | 122.4 |
| 2' | 128.2 |
| 3' (may be reversed with 1', 1''') | 121.1 |
| 4' (may be reversed with 5, 5", 7", 4''') | 161.1 |
| 5' | 111.7 |
| 6' | 130.8 |
| 2" (may be reversed with 2) | 163.4 |
| 3" (may be reversed with 3, 10, 8", 10") | 103.1 |
| 4" (may be reversed with 4) | 182.2 |
| 5" (may be reversed with 5, 4', 7", 4''') | 160.4 |
| 6" (may be reversed with 6) | 95.5 |
| 7" (may be reversed with 5, 4', 5", 4''') | 161.1 |
| 8" (may be reversed with 3, 10, 3", 10") | 103.9 |
| 9" | 153.5 |
| 10" (may be reversed with 3, 10, 3", 8") | 104 |
| 1''' (may be reversed with 1', 3') | 122.6 |
| 2''' | 127.8 |
| 3''' | 114.5 |
| 4''' (may be reversed with 5, 4', 5", 7") | 162.2 |
| 5''' | 114.5 |
| 6''' | 127.8 |
