Spektraris NMR
3'''-Desoxydicranolomin
Common Name: 3'''-Desoxydicranolomin
Synonyms: 4H-1-Benzopyran-4-one, 6-[6-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,3-dihydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
CAS Registry Number: 175738-06-4
InChI:
InChIKey:
Formula: C30H18O11
Molecular Weight: 554.46
Exact Mass: 554.0849
NMR Solvent: DMSO-d6
MHz: 400 (1H), 100 (13C)
Calibration: not indicated
NMR references: Rampendahl, C., Seeger, T., Geiger, H., Zinsmeister, H. (1996). The Biflavonoids of Plagiomnium undulatum. Phytochemistry 41, 1621-1624.
Species: Plagiomnium undulatum - Rampendahl, C., Seeger, T., Geiger, H., Zinsmeister, H. (1996). The Biflavonoids of Plagiomnium undulatum. Phytochemistry 41, 1621-1624.
Notes: No J-values given by Rampendahl et al. for 1H NMR data.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 3 | 5.99 | s | |
| 6 | 6.07 | d (meta-coupled) | |
| 8 | 5.98 | d (meta-coupled) | |
| 5' | 6.87 | d (ortho-coupled) | |
| 6' | 7.12 | d (ortho-coupled) | |
| 3" | 6.66 | s | |
| 8" | 6.46 | s | |
| 2''' | 7.91 | d (ortho-coupled) | |
| 3''' | 6.92 | d (ortho-coupled) | |
| 5''' | 6.92 | d (ortho-coupled) | |
| 6''' | 7.91 | d (ortho-coupled) |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 167 |
| 3 | 105.6 |
| 4 | 181.2 |
| 5 | 160.8 |
| 6 | 98.5 |
| 7 | 163.5 |
| 8 | 93.3 |
| 9 | 157.4 |
| 10 | 102 |
| 1' | 123.8 |
| 2' | 119.6 |
| 3' | 145.5 |
| 4' | 149 |
| 5' | 113.2 |
| 6' | 121.4 |
| 2" | 163.8 |
| 3" | 102.4 |
| 4" | 181.1 |
| 5" | 158.6 |
| 6" | 109 |
| 7" | 162.8 |
| 8" | 94.5 |
| 9" | 156.5 |
| 10" | 103.3 |
| 1''' | 120.7 |
| 2''' | 128.2 |
| 3''' | 115.8 |
| 4''' | 161.2 |
| 5''' | 115.8 |
| 6''' | 128.2 |
