(2S,7aS,13aR)-13a-hydroxy-5,10,12-trimethoxy-2,7a-bis(4-methoxyphenyl)-3,4,7a,13a-tetrahydro-2H,13H-furo[2,3-b:5,4-h']dichromen-13-one

(2S,7aS,13aR)-13a-hydroxy-5,10,12-trimethoxy-2,7a-bis(4-methoxyphenyl)-3,4,7a,13a-tetrahydro-2H,13H-furo[2,3-b:5,4-h']dichromen-13-one

Common Name: (2S,7aS,13aR)-13a-hydroxy-5,10,12-trimethoxy-2,7a-bis(4-methoxyphenyl)-3,4,7a,13a-tetrahydro-2H,13H-furo[2,3-b:5,4-h']dichromen-13-one

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

CAS Registry Number: 168749-95-9

InChI:

InChIKey:

Formula: C35H32O10

Molecular Weight: 612.631

Exact Mass: 612.1996

NMR Solvent: acetone-d6

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 4.83 brd 9.6
3 2.23 m
3 1.94 m
4 2.59 m
6 6.29 s
2', 6' 7.33 d 8.5
3', 5' 6.92 d 8.5
6" (may be interchanged with 8") 6.02 d 2.2
8" (may be interchanged with 6") 6.1 d 2.2
2''', 6''' 7.45 d 8.5
3''', 5''' 6.89 d 8.5
OH 4.9 brs
OCH3 3.8 s
OCH3 3.76 s
OCH3 3.63 s

Carbon NMR Peaks

Position PPM
2 76.8
3 28.3
4 19.5
5 (may be interchanged with 4''') 160.9
6 87.7
7 160.3
8 109
9 152.8
10 105.9
1' 133.5
2', 6' 127.3
3', 5' 113.9
4' 159.4
2" 117.7
3" 82.7
4" 188.8
5" (may be interchanged with 7") 161.9
6" 93.7
7" (may be interchanged with 5") 166.7
8" 93.8
9" 163.7
10" 103.1
1''' 127.4
2''', 6''' 128.6
3''', 5''' 114
4''' (may be interchanged with 5) 161
OCH3 56.3
OCH3 56.1
OCH3 55.9
OCH3 55.6