Genkwanol C hexamethyl ether

Genkwanol C hexamethyl ether

Common Name: Genkwanol C hexamethyl ether

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

CAS Registry Number: 150737-00-1

InChI:

InChIKey:

Formula: C36H34O11

Molecular Weight: 642.657

Exact Mass: 642.2101

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 4.59 d 7.6
3 3.56 ddd 7.6, 7.6, 5.3
4 2.81 dd 17.4, 5.3
4 2.46 dd 17.4, 7.6
6 5.85 s
2', 6' 6.97 d 8.8
3', 5' 6.77 d 8.8
2" 5.89 s
6" 6.05 d 2.3
8" 6.15 d 2.3
2''', 6''' 7.21 d 8.8
3''', 5''' 6.87 d 8.8
OCH3 3.84
OCH3 3.8
OCH3 3.77
OCH3 3.76
OCH3 3.34
OCH3 3.23

Carbon NMR Peaks

Position PPM
2 80.9
3 75.1
4 24.2
10 110.9
5 187
6 102
7 168.8
8 84.6
9 157.8
1' 128.7
2', 6' 127.9
3', 5' 113.6
4' 159.5
2" 90.2
3" 85.3
4" 182.9
10'' 105.2
5" 162.2
6" (may be interchanged with 8") 94
7" 166.5
8" (may be interchanged with 6") 93.9
9'' 162.4
1''' 124
2''', 6''' 129.3
3''', 5''' 113.5
4''' 160.1
OCH3 56.8
OCH3 56.3
OCH3 56.2
OCH3 55.8
OCH3 55.2
OCH3 55.2