Daphnodorin I

Daphnodorin I

Common Name: Daphnodorin I

Synonyms: Spiro[benzofuran-2(3H),9'(8'H)-[2H]furo[2,3-h][1]benzopyran]-3-one, 3',4'-dihydro-3',4,5',6-tetrahydroxy-2',8'-bis(4-hydroxyphenyl)-, [2'R-(2'α,3'β,8'β,9'β)]-

CAS Registry Number: 178897-28-4

InChI:

InChIKey:

Formula: C30H22O10

Molecular Weight: 542.496

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.

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 4.61 d 7.5
3 3.83 m
(OH or H) 4.2 d 4.9
4 2.87 dd 16, 5.2
4 2.55 dd 16, 8.1
6 6.17 s
2', 6' 7.08 d 8.8
3', 5' 6.71 d 8.8
2" 5.6 s
6" 5.75 d 2.1
8" 5.59 d 2.1
2''', 6''' 7.14 d 8.8
3''', 5''' 6.75 d 8.8
OH 9.4 s
OH 8.93 s
OH 8.77 s
OH 8.47 s
OH 8.24 s

Carbon NMR Peaks

Position PPM
2 82.2
3 86.5
4 28.8
10 102.7
5 163.2
6 91.1
7 160.7
8 103.8
9 153.3
1' 130.9
2', 6' 129
3', 5' 116
4' 158.1
2" 92.7
3" 95.9
4" 197.2
10'' 104.6
5" 158.6
6" 97.2
7" 169.9
8" 91.3
9'' 173.6
1''' 125.4
2''', 6''' 130.2
3''', 5''' 116
4''' 159.1