Common Name: Daphnodorin D2
Synonyms: [3,8'-Bi-4H-1-benzopyran]-4-one, 2',3'-dihydro-5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2'S,3S)-
CAS Registry Number: 190146-06-6
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.
Position | PPM | Peak Type | J (Hz) |
---|---|---|---|
2 | 4.84 | dd | 10, 2.1 |
3 | 1.69 | m | |
4 | 2.62 | m | |
6 | 6.1 | s | |
2', 6' | 6.9 | d | 8.6 |
3', 5' | 6.65 | d | 8.6 |
6" | 6.19 | d | 2.1 |
8" | 6.39 | d | 2.1 |
2''', 6''' | 7.58 | d | 8.8 |
3''', 5''' | 6.84 | d | 8.8 |
OH | 13.29 | s | |
OH | 9.54 | s | |
OH | 8.95 | s | |
OH | 8.25 | s | |
OH | 8.22 | s | |
OH | 7.69 | s |
Position | PPM |
---|---|
2 | 78.4 |
3 | 30.4 |
4 | 20.4 |
10 | 102.5 |
5 (may be interchanged with 7, 9, 4', 2", 5", 7", 9'', 4''') | 165 |
6 | 96.3 |
7 (may be interchanged with 5, 9, 4', 2", 5", 7", 9'', 4''') | 163.9 |
8 | 101 |
9 (may be interchanged with 5, 7, 4', 2", 5", 7", 9'', 4''') | 160.7 |
1' | 134.4 |
2', 6' | 128.3 |
3', 5' | 116.1 |
4' (may be interchanged with 5, 7, 9, 2", 5", 7", 9'', 4''') | 159.1 |
2" (may be interchanged with 5, 7, 9, 4', 5", 7", 9'', 4''') | 157.9 |
3" | 114.2 |
4" | 183.3 |
10'' | 105.4 |
5" (may be interchanged with 5, 7, 9, 4', 2", 7", 9'', 4''') | 157.3 |
6" | 99.6 |
7" (may be interchanged with 5, 7, 9, 4', 2", 5", 9'', 4''') | 156 |
8" | 94.4 |
9'' (may be interchanged with 5, 7, 9, 4', 2", 5", 7", 4''') | 155.8 |
1''' | 126.1 |
2''', 6''' | 131.6 |
3''', 5''' | 116.1 |
4''' (may be interchanged with 5, 7, 9, 4', 2", 5", 7", 9'') | 155.5 |