(2S,7aS,13S,13aS)-5,10,12-trimethoxy-2,7a-bis(4-methoxyphenyl)-3,4-dihydro-2H,13H-furo[2,3-b:5,4-h']dichromene-13,13a(7aH)-diol

(2S,7aS,13S,13aS)-5,10,12-trimethoxy-2,7a-bis(4-methoxyphenyl)-3,4-dihydro-2H,13H-furo[2,3-b:5,4-h']dichromene-13,13a(7aH)-diol

Common Name: (2S,7aS,13S,13aS)-5,10,12-trimethoxy-2,7a-bis(4-methoxyphenyl)-3,4-dihydro-2H,13H-furo[2,3-b:5,4-h']dichromene-13,13a(7aH)-diol

Synonyms: 2H,​13H-​Furo[2,​3-​b:5,​4-​h']​bis[1]​benzopyran-​13,​13a(7aH)​-​diol, 3,​4-​dihydro-​5,​10,​12-​trimethoxy-​2,​7a-​bis(4-​methoxyphenyl)​-​, [2S-​(2α,​7aβ,​13α,​13aα)​]​- (9CI)

CAS Registry Number: 163360-67-6

InChI:

InChIKey:

Formula: C35H34O10

Molecular Weight: 614.647

Exact Mass: 614.2152

NMR Solvent: CDCl3

MHz: 300 (1H), 75 (1H)

Calibration: TMS

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

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

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 4.99 dd 10, 2
3 2.15 m
3 1.96 m
4 2.63 m
6 6.15 s
2', 6' 7.32 d 8.7
3', 5' 6.94 d 8.7
4" 5.1 d 11
6" 6.28 d 2.6
8" 6.16 d 2.6
2''', 6''' 7.57 d 9
3''', 5''' 6.93 d 9
OH 3.94 d 11
OH 3.49 brs
OCH3 3.84 s
OCH3 3.83 s
OCH3 3.79 s
OCH3 3.74 s
OCH3 3.72 s

Carbon NMR Peaks

Position PPM
2 78.7
3 29
4 19.7
5 (may be interchanged with 4', 5", 4''') 158.7
6 87.2
7 160.1
8 106.6
9 151.9
10 104.7
1' 133.3
2', 6' 127.9
3', 5' 114.5
4' (may be interchanged with 5, 5", 4''') 160.3
2" 116.1
3" 87
4" 71.3
5" (may be interchanged with 5, 4', 4''') 160.4
6" 95.3
7" 160.8
8" 96.5
9" 155.1
10" 108.7
1''' 127.4
2''', 6''' 129
3''', 5''' 113.6
4''' (may be interchanged with 5, 4', 5") 160.8
OCH3 56.2
OCH3 55.9
OCH3 55.7
OCH3 55.6
OCH3 55.5