Robustaflavone 4',4'''-dimethyl ether

Robustaflavone 4',4'''-dimethyl ether

Common Name: Robustaflavone 4',4'''-dimethyl ether

Synonyms: 4H-​1-​Benzopyran-​4-​one, 6-​[5-​(5,​7-​dihydroxy-​4-​oxo-​4H-​1-​benzopyran-​2-​yl)​-​2-​methoxyphenyl]​-​5,​7-​dihydroxy-​2-​(4-​methoxyphenyl)​-

CAS Registry Number: 873999-84-9

InChI:

InChIKey:

Formula: C32H22O10

Molecular Weight: 566.518

Exact Mass: 566.1213

NMR Solvent: DMSO-d6

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

Calibration: TMS

NMR references: Chen, J., Duh, C., Chen, J. (2005). New Cytotoxic Biflavonoids from Selaginella delicatula. Planta Med. 71, 659-665.

Species: Selaginella delicatula - Chen, J., Duh, C., Chen, J. (2005). New Cytotoxic Biflavonoids from Selaginella delicatula. Planta Med. 71, 659-665.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
3 6.86 s
6 6.2 d 2
8 6.49 d 2
2' 7.82 d 2
5' 7.23 d 9
6' 8.07 dd 9, 2
3" 6.84 s
8" 6.64 s
2''', 6''' 8.02 d 9
3''', 5''' 7.09 d 9
5-OH 12.94 s
7-OH 10.81 s
5"-OH 13.2 s
7"-OH 10.68 s
4'-OCH3 3.8 s
4'''-OCH3 3.84 s

Carbon NMR Peaks

Position PPM
2 163.4
3 (may be interchanged with 3") 103.3
4 181.7
5 (may be interchanged with 7") 161.4
6 98.8
7 164.1
8 94.1
9 157
10 103.9
1' 122.3
2' 130.2
3' 122.6
4' 160.5
5' 111.8
6' 128
2" 164
3" (may be interchanged with 3) 103.4
4" 182
5" 158.7
6" 108.8
7" (may be interchanged with 5) 161.5
8" 93.6
9" 156.4
10" 103.7
1''' 122.6
2''' 128.3
3''' 114.7
4''' 162.4
5''' 114.7
6''' 128.3
4'-OCH3 55.9
4'''-OCH3 55.6