Daphnodorin M tetramethyl ether

Daphnodorin M tetramethyl ether

Common Name: Daphnodorin M tetramethyl ether

Synonyms: 1H,​5H,​12H-​Furo[3,​4-​b:2,​3-​h']​bis[1]​benzopyran-​1,​5-​dione, 4,​4a,​13,​14-​tetrahydro-​4a-​hydroxy-​6,​8-​dimethoxy-​4,​12-​bis(4-​methoxyphenyl)​-​, (4S,​4aR,​10aS,​12S)​- (9CI)

CAS Registry Number: 215868-10-3

InChI:

InChIKey:

Formula: C34H30O10

Molecular Weight: 598.6

Exact Mass: 598.1839

NMR Solvent: CDCl3

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

Calibration: TMS

NMR references: Taniguchi, M., Fujiwara, A., Baba, K., Wang, N. (1998). Two Biflavonoids from Daphne acutiloba. Phytochemistry 49, 863-867.

Species: synthesis - Taniguchi, M., Fujiwara, A., Baba, K., Wang, N. (1998). Two Biflavonoids from Daphne acutiloba. Phytochemistry 49, 863-867.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 4.95 dd 9.5, 2.8
3 2.1 m
3 1.71 m
4 2.55 m
4 2.3 m
6 5.83 s
2', 6' 6.71 d 8.9
3', 5' 6.65 d 8.9
2" 5.9 s
6" 6.2 d 2.2
8" 6.25 d 2.2
2''', 6''' 7.18 d 8.8
3''', 5''' 6.88 d 8.8
OH 3.94 s
OCH3 3.9 s
OCH3 3.85 s
OCH3 3.8 s
OCH3 3.75 s

Carbon NMR Peaks

Position PPM
2 78.4
3 28.9
4 17.5
10 112.2
5 187.3
6 101.9
7 (may be interchanged with 9, 4', 5", 7", 9'', 4''') 167.9
8 84.9
9 (may be interchanged with 7, 4', 5", 7", 9'', 4''') 167.5
1' 132.2
2', 6' 126.2
3', 5' 113.5
4' (may be interchanged with 7, 9, 5", 7", 9'', 4''') 163.3
2" 90.7
3" 79.9
4" 184.7
10'' 102.2
5" (may be interchanged with 7, 9, 4', 7", 9'', 4''') 162.6
6" 94.3
7" (may be interchanged with 7, 9, 4', 5", 9'', 4''') 160.3
8" 94
9'' (may be interchanged with 7, 9, 4', 5", 7", 4''') 158.9
1''' 123.6
2''', 6''' 129.1
3''', 5''' 113.7
4''' (may be interchanged with 7, 9, 4', 5", 7", 9'') 158.1
OCH3 56.4
OCH3 56
OCH3 55.3
OCH3 55.3