Spektraris NMR
Saiyutone B
Common Name: Saiyutone B
Synonyms: 4H-1-Benzopyran-8-carboxaldehyde, 3-[(3,4-dihydro-2,5,7-trihydroxy-8-methyl-4-oxo-2-phenyl-2H-1-benzopyran-6-yl)methyl]-5,7-dihydroxy-6-methyl-4-oxo-2-phenyl-, (+)-
CAS Registry Number: 1318029-00-3
InChI:
InChIKey:
Formula: C34H26O10
Molecular Weight: 594.572
Exact Mass: 594.1526
NMR Solvent: CDCl3
MHz: 300 (1H), 75 (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:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| α | 3.93 | d | 3.3 |
| 2', 6' | 7.68 | m | |
| 2', 6' | 7.65 | ||
| 3', 5' | 7.63 | m | |
| 3', 5' | 7.59 | ||
| 4' | 7.63 | m | |
| 4' | 7.59 | ||
| 3" | 2.96 | s | |
| 2''', 6''' | 7.68 | m | |
| 2''', 6''' | 7.65 | ||
| 3''', 5''' | 7.45 | m | |
| 3''', 5''' | 7.42 | ||
| 4''' | 7.45 | m | |
| 4''' | 7.42 | ||
| 5-OH | 13.16 | s | |
| 6-CH3 | 2.13 | s | |
| 7-OH | 13.06 | s | |
| 8-CHO | 10.27 | s | |
| 5"-OH | 11.56 | s | |
| 7"-OH | 10.13 | s | |
| 8"-CH3 | 2.15 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 164.8 |
| 3 | 119.5 |
| 4 | 182.9 |
| 5 | 164.7 |
| 6 | 108.6 |
| 7 | 168.1 |
| 8 | 102.3 |
| 9 | 160.4 |
| 10 | 103.1 |
| α | 19.2 |
| 1' | 132.6 |
| 2', 6' | 129.2 |
| 3', 5' | 128.7 |
| 4' | 131.1 |
| 2" | 100.9 |
| 3" | 48.1 |
| 4" | 194.3 |
| 5" | 159.9 |
| 6" | 105.8 |
| 7" | 163 |
| 8" | 106.3 |
| 9" | 155.1 |
| 10" | 101.8 |
| 1''' | 142.2 |
| 2''', 6''' | 124.9 |
| 3''', 5''' | 128.6 |
| 4''' | 129.2 |
| 6-CH3 | 6.4 |
| 8-CHO | 189.8 |
| 8"-CH3 | 8.3 |
