Robustaflavone 7,4'-dimethyl ether

Robustaflavone 7,4'-dimethyl ether

Common Name: Robustaflavone 7,4'-dimethyl ether

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

CAS Registry Number: 275365-37-2

InChI:

InChIKey:

Formula: C32H22O10

Molecular Weight: 566.518

Exact Mass: 566.1213

NMR Solvent: DMSO-d6

MHz: 500-I don’t think this is right

Calibration: Deuterated solvent was internal standard.

NMR references: Lin, L., Kuo, Y., Chou, C. (2000). Cytotoxic Biflavonoids from Selaginella delicatula. J. Nat. Prod. 63, 627-630.

Species: Selaginella delicatula - Lin, L., Kuo, Y., Chou, C. (2000). Cytotoxic Biflavonoids from Selaginella delicatula. J. Nat. Prod. 63, 627-630.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
3 6.96 s
6 6.34 d 2.2
8 3.82 d 2.2
2' 7.87 d 2
5' 7.25 d 8.5
6' 8.11 dd 2, 8.5
3" 6.78 s
8" 6.63 s
2''', 6''' 7.94 d 8
3''', 5''' 6.94 d 8
5-OH 12.93 brs
5"-OH 13.22 brs
7-OCH3 3.84 s
4"-OCH3 3.81 s

Carbon NMR Peaks

Position PPM
2 163.7
3 103.7
4 181.8
5 161.1
6 98.2
7 165.2
8 92.7
9 157.4
10 104.8
1' 122.2
2' 130.3
3' 122.7
4' 160.8
5' 111.8
6' 128
2" 163.7
3" 102.8
4" 182
5" 158.9
6" 108.6
7" 161.2
8" 93.5
9" 156.4
10" 103.4
1''' 121.2
2''' 128.5
3''' 116
4''' 161.1
5''' 116
6''' 128.5
7-OCH3 56.1
4'-OCH3 55.9