Spektraris NMR
Saiyutone D
Common Name: Saiyutone D
Synonyms: Benzaldehyde, 3-[3-[7-(benzoyloxy)-5-hydroxy-8-methyl-4-oxo-2-phenyl-4H-1-benzopyran-6-yl]-1-oxopropyl]-2,4-dihydroxy-6-methoxy-5-methyl-
CAS Registry Number: 1318029-04-7
InChI:
InChIKey:
Formula: C35H28O10
Molecular Weight: 608.599
Exact Mass: 608.1683
NMR Solvent: CDCl3
MHz: 600 (1H), 150 (13C)
Calibration: TMS
NMR references: Rittiwong, T., Mutarapat, T., Ponglimanont, C., Mahabusarakam, W., Chakthong, S. (2011). Saiyutones A-D: four new unusual biflavones from Desmos chinensis. Tetrahedron 67, 5444-5449.
Species: Desmos chinensis - Rittiwong, T., Mutarapat, T., Ponglimanont, C., Mahabusarakam, W., Chakthong, S. (2011). Saiyutones A-D: four new unusual biflavones from Desmos chinensis. Tetrahedron 67, 5444-5449.
Notes: *ppm range 7.6-7.52
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 3 | 6.77 | s | |
| α, β | 3.51 | t | 7.8 |
| 2', 6' | 7.93 | d | 6.8 |
| 3', 5' * | 7.6 | m | |
| 4'* | 7.6 | m | |
| 3''', 7''' | 8.23 | d | 7.5 |
| 4''', 6'''* | 7.6 | m | |
| 5'''* | 7.6 | m | |
| 5-OH | 12.96 | s | |
| 8-CH3 | 2.31 | s | |
| 3"-OH | 14.97 | s | |
| 4"-CH3 | 2.05 | s | |
| 5"-OCH3 | 3.86 | s | |
| 6"-CHO | 9.91 | s | |
| 7"-OH | 14.02 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 164.3 |
| 3 | 105.9 |
| 4 | 183.4 |
| 5 | 157.5 |
| 6 | 117.1 |
| 7 | 153.4 |
| 8 | 109.1 |
| 9 | 152.7 |
| 10 | 108.8 |
| α, β | 42.9 |
| 1' | 131.9 |
| 2', 6' | 126.3 |
| 3', 5' | 129.1 |
| 4' | 133.9 |
| 1" | 206 |
| 2" | 106.2 |
| 3" | 172.4 |
| 4" | 110.8 |
| 5" | 166.3 |
| 6" | 107.1 |
| 7" | 167.1 |
| 1''' | 164 |
| 2''' | 131.9 |
| 3''', 7''' | 130.3 |
| 4''', 6''' | 128.7 |
| 5''' | 133.9 |
| 8-CH3 | 9.1 |
| 4"-CH3 | 7.9 |
| 5"-OCH3 | 62.8 |
| 6"-CHO | 192.3 |
