Spektraris NMR
Daphnodorin D1
Common Name: Daphnodorin D1
Synonyms: [3,8'-Bi-4H-1-benzopyran]-4-one, 2',3'-dihydro-5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2'S,3R)-
CAS Registry Number: 190146-05-5
InChI:
InChIKey:
Formula: C30H22O9
Molecular Weight: 526.497
Exact Mass: 526.1264
NMR Solvent: acetone-d6
MHz: 300 (1H), 75.4 (13C)
Calibration: TMS
NMR references: Taniguchi, M., Fujiwara, A., Baba, K. (1997). Three Flavonoids from Daphne odora. Phytochemistry 45, 183-188.
Baba, K., Taniguchi, M., Kozawa, M. (1994). Three Biflavonoids From Wikstroemia sikokiana. Phytochemistry 37, 879-883.
Species: Daphne odora - Taniguchi, M., Fujiwara, A., Baba, K. (1997). Three Flavonoids from Daphne odora. Phytochemistry 45, 183-188.
Notes: Daphnodorin D1 and Daphnodorin D2 are atropisomers.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 4.6 | dd | 9.6, 2.4 |
| 3 | 1.94 | m | |
| 4 | 2.62 | m | |
| 6 | 6.08 | s | |
| 2', 6' | 7.14 | d | 8.6 |
| 3', 5' | 6.72 | d | 8.6 |
| 6" | 6.23 | d | 2.1 |
| 8" | 6.39 | d | 2.1 |
| 2''', 6''' | 7.42 | d | 8.8 |
| 3''', 5''' | 6.78 | d | 8.8 |
| OH | 13.35 | s | |
| OH | 9.51 | s | |
| OH | 8.86 | s | |
| OH | 8.22 | s | |
| OH | 8.2 | s | |
| OH | 7.61 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 78.4 |
| 3 | 31.7 |
| 4 | 20.3 |
| 10 | 102.7 |
| 5 (may be interchanged with 7, 9, 4', 2", 5", 7", 9'', 4''') | 165 |
| 6 | 96.5 |
| 7 (may be interchanged with 5, 9, 4', 2", 5", 7", 9'', 4''') | 164.6 |
| 8 | 101.2 |
| 9 (may be interchanged with 5, 7, 4', 2", 5", 7", 9'', 4''') | 163.9 |
| 1' | 134.5 |
| 2', 6' | 128.4 |
| 3', 5' | 116 |
| 4' (may be interchanged with 5, 7, 9, 2", 5", 7", 9'', 4''') | 160.5 |
| 2" (may be interchanged with 5, 7, 9, 4', 5", 7", 9'', 4''') | 159.1 |
| 3" | 114.3 |
| 4" | 183.5 |
| 10'' | 105.5 |
| 5" (may be interchanged with 5, 7, 9, 4', 2", 7", 9'', 4''') | 159.1 |
| 6" | 99.8 |
| 7" (may be interchanged with 5, 7, 9, 4', 2", 5", 9'', 4''') | 157.9 |
| 8" | 94.6 |
| 9'' (may be interchanged with 5, 7, 9, 4', 2", 5", 7", 4''') | 155.8 |
| 1''' | 126.2 |
| 2''', 6''' | 131.5 |
| 3''', 5''' | 116.1 |
| 4''' (may be interchanged with 5, 7, 9, 4', 2", 5", 7", 9'') | 155.7 |
