5,5''-diacetyl-7,4',7''-trimethyl-2'',3''-dihydroochnaflavone

5,5''-diacetyl-7,4',7''-trimethyl-2'',3''-dihydroochnaflavone

Common Name: 5,5''-diacetyl-7,4',7''-trimethyl-2'',3''-dihydroochnaflavone

Synonyms: 4H-​1-​Benzopyran-​4-​one, 5-​(acetyloxy)​-​2-​[4-​[5-​[5-​(acetyloxy)​-​7-​methoxy-​4-​oxo-​4H-​1-​benzopyran-​2-​yl]​-​2-​methoxyphenoxy]​phenyl]​-​2,​3-​dihydro-​7-​methoxy-

CAS Registry Number: 1208985-95-8

InChI:

InChIKey:

Formula: C37H30O12

Molecular Weight: 666.635

Exact Mass: 666.1737

NMR Solvent: CDCl3

MHz: 500 (1H), 125 (13C)

Calibration: TMS

NMR references: de Carvalho, M., Silva, V., da Rocha, J. (2009). A new derivative of dihydroochnaflavone isolated from Luxemburgia species (Ochnaceae) and the complete 1H and 13C NMR chemical shifts assignments. Brazilian Journal of Pharmacognosy 19, 33-35.

Species: synthesis - de Carvalho, M., Silva, V., da Rocha, J. (2009). A new derivative of dihydroochnaflavone isolated from Luxemburgia species (Ochnaceae) and the complete 1H and 13C NMR chemical shifts assignments. Brazilian Journal of Pharmacognosy 19, 33-35.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
3 6.76 s
6 6.29 d 2.5
8 6.44 d 2.5
2' 7.58 d 2
5' 7.13 d 7.8
6' 7.75 d 2, 7.8
2" 5.45 d 3, 13.5
3" 2.75 dd 3, 16.5
3'' 3.04 dd 13.5, 16.5
6" 6.65 d 2
8" 6.87 d 2
2''', 6''' 7.42 d 8.5
3''', 5''' 7 d 8.5
7-OCH3 3.83 s
7"-OCH3 3.92 s
4'-OCH3 3.92 s
CH3 (5) 2.43 s
CH3 (5") 2.39 s

Carbon NMR Peaks

Position PPM
2 162.2
3 106.8
4 176.5
5 151.9
6 104.8
7 165.6
8 99.5
9 163
10 108
1' 123.9
2' 119.6
3' 144.7
4' 154.7
5' 112.9
6' 124.1
2" 79.1
3" 44.9
4" 188.7
5" 150.4
6" 108.8
7" 164.2
8" 98.9
9" 158.8
10" 113
1''' 132.8
2''', 6''' 127.9
3''', 5''' 116.3
4''' 158.1
7-OCH3 55.7
7"-OCH3 56.2
4'-OCH3 56.2
C=O (5) 169.4
C=O (5") 169.5
CH3 (5) 21.1
CH3 (5") 21.1