2'',3''-Dihydro-4'-O-4'''-biapigenin 7''-methyl ether

2'',3''-Dihydro-4'-O-4'''-biapigenin 7''-methyl ether

Common Name: 2'',3''-Dihydro-4'-O-4'''-biapigenin 7''-methyl ether

Synonyms:

CAS Registry Number:

InChI:

InChIKey:

Formula: C31H22O9

Molecular Weight: 538.508

Exact Mass: 538.1264

NMR Solvent: acetone-d6

MHz: 300 (1H), 125 (13C)

Calibration: not indicated

NMR references: Guodong, Z. (2006). Natural Products from Selaginella. M.S. Dissertation, National University of Singapore.

Species: Selaginella willdenowii - Guodong, Z. (2006). Natural Products from Selaginella. M.S. Dissertation, National University of Singapore.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
3 6.68 s
6 6.26 d 2.3
8 6.54 d 1.9
2' 7.98 d 9.3
3' 7.05 d 9.3
5' 7.05 d 9.3
6' 7.98 d 9.3
2" 5.54 dd 3.3, 12
3" 2.9 dd 3, 17.6
3'' 3.22 dd 17.1, 12
8" 6.33 s
2''' 7.18 d 8.4
3''' 6.77 d 8.8
5''' 6.77 d 8.8
6''' 7.18 d 8.4
7"-OCH3 3.89 s
5-OH 12.95 s
5"-OH 12.2 s

Carbon NMR Peaks

Position PPM
2 165.3
3 105.6
4 183.8
5 164.1
6 100.5
7 165.7
8 95.5
9 159.6
10 106.2
1' 124.5
2' 129.7
3' 117.1
4' 163.3
5' 117.1
6' 129.7
2" 80.9
3" 43.9
4" 198.5
5" 162.5
6" 126.3
7" 162.9
8" 94.7
9" 155.5
10" 104.4
1''' 130.9
2''' 129.5
3''' 116.8
4''' 159.4
5''' 116.8
6''' 129.5
7"-OCH3 57.7