Daphnodorin E

Daphnodorin E

Common Name: Daphnodorin E

Synonyms: 2H,​13H-​Furo[2,​3-​b:5,​4-​h']​bis[1]​benzopyran-​13-​one, 3,​4,​7a,​13a-​tetrahydro-​5,​10,​12,​13a-​tetrahydroxy-​2,​7a-​bis(4-​hydroxyphenyl)​-​, (2S,​7aR,​13aS)​-

CAS Registry Number: 163565-71-7

InChI:

InChIKey:

Formula: C30H22O10

Molecular Weight: 542.5

Exact Mass: 542.1213

NMR Solvent: acetone-d6

MHz: 300 (1H), 75.4 (13C)

Calibration: TMS

NMR references: Taniguchi, M., Baba, K. (1996). Three Biflavonoids From Daphne odora. Phytochemistry 42, 1447-1453.

Baba, K., Yoshikawa, M., Taniguchi, M., Kozawa, M. (1995). Biflavonoids from Daphne odora. Phytochemistry 38, 1021-1026.

Species: Daphne odora - Taniguchi, M., Baba, K. (1996). Three Biflavonoids From Daphne odora. Phytochemistry 42, 1447-1453.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 4.95 dd 10.1, 1.9
3 2.13 m
(OH or H) 1.73 m
4 2.61 m
6 6.24 s
2', 6' 7.13 d 8.8
3', 5' 6.78 d 8.8
3"-OH 5.29 s
6" (may be interchanged with 8") 6.03 d 2.1
8" (may be interchanged with 6") 5.93 d 2.1
2''', 6''' 7.34 d 8.8
3''', 5''' 6.9 d 8.8
OH 11.61 s
OH 9.85 s
OH 8.87 s
OH 8.61 s
OH 8.29 s

Carbon NMR Peaks

Position PPM
2 78
3 30.4
4 20.1
10 105.2
5 (may be interchanged with 7, 9, 4', 5", 7", 9'', 4''') 154.3
6 92.1
7 (may be interchanged with 5, 9, 4', 5", 7", 9'', 4''') 158.1
8 108.3
9 (may be interchanged with 5, 7, 4', 5", 7", 9'', 4''') 159.7
1' 133.8
2', 6' 127.9
3', 5' 116.2
4' (may be interchanged with 5, 7, 9, 5", 7", 9'', 4''') 159.9
2" 118.7
3" 82.4
4" 194.4
10'' 100.1
5'' (may be interchanged with 5, 7, 9, 4', 7", 9'', 4''') 161.2
6" (may be interchanged with 8") 95.8
7" (may be interchanged with 5, 7, 9, 4', 5", 9'', 4''') 163.4
8" (may be interchanged with 6") 97.5
9'' (may be interchanged with 5, 7, 9, 4', 5", 7", 4''') 165.5
1''' 124.4
2''', 6''' 129.8
3''', 5''' 115.8
4''' (may be interchanged with 5, 7, 9, 4', 5", 7", 9'') 168.4