Ouratine A

Ouratine A

Common Name: Ouratine A

Synonyms: 4',4'''-Di-O-methylagathisflavone

CAS Registry Number: 920745-73-9

InChI:

InChIKey:

Formula: C32H22O10

Molecular Weight: 566.518

Exact Mass: 566.1213

NMR Solvent: DMSO-d6 (1H and 13C), acetone-d6 (1H)

MHz: 400 (1H), 100 (13C)

Calibration: TMS

NMR references: Mbing, J., Enguehard-Gueiffier, C., de Theodore Atchade, A., Allouchi, H., Gangoue-Pieboji, J., Mbafor, J., Tih, R., Pothier, J., Pegnyemb, D., Gueiffier, A. (2006). Two biflavonoids from Ouratea nigroviolacea. Phytochemistry 67, 2666-2670.

Species: Ouratea nigroviolacea - Mbing, J., Enguehard-Gueiffier, C., de Theodore Atchade, A., Allouchi, H., Gangoue-Pieboji, J., Mbafor, J., Tih, R., Pothier, J., Pegnyemb, D., Gueiffier, A. (2006). Two biflavonoids from Ouratea nigroviolacea. Phytochemistry 67, 2666-2670.

Notes: 1H NMR was performed twice, once with DMSO-d6 as solvent and once with acetone-d6 as solvent

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2' 6'-I 8.12 d 8.1
2', 6'-II 7.78 d 8
3', 5'-I 7.2 d 8.1
3', 5'-II 6.98 d 8
8 6.83 s
3-I 6.79 s
3-II 6.73 s
6 6.44 s
4'-OCH3 3.97 s
4'-OCH3 3.84 s
3-I 6.88 s
5-OH 13.29 s
7-OH 10.79
8-I 6.95 s
2'-I 8.11 d 8.1
3'-I 7.16 d 8.1
4'-OCH3 3.9 s
5'-I 7.16 d 8.1
6'-I 8.11 d 8.1
3-II 6.75 s
5-OH 13.04 s
6-II 6.4 s
7-OH 10.79
2'-II 7.7 d 8.2
3'-II 6.98 d 8.2
4'-OCH3 3.79 s
5'-II 6.98 d 8.2
6'-II 7.7 d 8.2

Carbon NMR Peaks

Position PPM
2 163.54
3 103.9
4 182.5
5 160.1
6 99.7
7 162.8
8 94
9 157.2
10 104.1
1' 123.4
2' 128.8
3' 123.5
4' 163.7
4'-OCH3 56
5' 123.5
6' 128.8
2'' 163.3
3'' 103.7
4'' 182.3
5'' 161.1
6'' 99.8
8'' 99.2
9'' 155.3
10'' 104
1''' 123.4
2''' 128.3
3''' 123.5
4''' 163.5
4'-OCH3 56
5''' 123.5
6''' 128.3