Spektraris NMR
Sikokianin D
Common Name: Sikokianin D
Synonyms: [3,3'-Bi-4H-1-benzopyran]-4,4'-dione, 2,2',3,3'-tetrahydro-5,5',7,7'-tetrahydroxy-2-(4- hydroxyphenyl)-2'-(4-methoxyphenyl)-, (2R,2'S,3S,3'S)-rel-(+)-
CAS Registry Number: 1620906-42-4
InChI:
InChIKey:
Formula: C31H24O10
Molecular Weight: 556.52
Exact Mass: 556.137
NMR Solvent: CD3OD
MHz: 500 (1H), 125 (13C)
Calibration: TMS
NMR references: Li, J., Lu, L., Zeng, L., Zhang, C., Hu, J., Li, X. (2012). Sikokianin D, A New C-3/C-3"-Biflavanone from the Roots of Wikstroemia indica. Molecules 17, 7792-7797.
Species: Wikstroemia indica - Li, J., Lu, L., Zeng, L., Zhang, C., Hu, J., Li, X. (2012). Sikokianin D, A New C-3/C-3"-Biflavanone from the Roots of Wikstroemia indica. Molecules 17, 7792-7797.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 5.57 | d | 5 |
| 3 | 3.19 | brs | |
| 6 | 5.74 | d | 2 |
| 8 | 5.77 | d | 2 |
| 2' | 7.22 | d | 8.5 |
| 3' | 6.9 | d | 8.5 |
| 5' | 6.9 | d | 8.5 |
| 6' | 7.22 | d | 8.5 |
| 2" | 5.19 | d | 9.5 |
| 3" | 3.26 | dd | 9.5, 3 |
| 6" | 5.78 | d | 2 |
| 8" | 5.98 | d | 2 |
| 2''' | 6.93 | d | 8.5 |
| 3''' | 6.63 | d | 8.5 |
| 5''' | 6.63 | d | 8.5 |
| 6''' | 6.93 | d | 8.5 |
| 4'-OCH3 | 3.79 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 81.2 |
| 3 | 49.3 |
| 4 | 198.5 |
| 5 | 165 |
| 6 | 96 |
| 7 | 168.1 |
| 8 | 97 |
| 9 | 165 |
| 10 | 103.6 |
| 1' | 130 |
| 2' | 128.4 |
| 3' | 114.9 |
| 4' | 160.9 |
| 5' | 114.9 |
| 6' | 128.4 |
| 2" | 83.3 |
| 3" | 51 |
| 4" | 196.1 |
| 5" | 165.3 |
| 6" | 97 |
| 7" | 167.9 |
| 8" | 96.4 |
| 9" | 163.9 |
| 10" | 105.1 |
| 1''' | 128.9 |
| 2''' | 130.3 |
| 3''' | 116.1 |
| 4''' | 158.9 |
| 5''' | 116.1 |
| 6''' | 130.3 |
| 4'-OCH3 | 55.7 |
