Robustaflavone 7,4',4'''-trimethyl ether

Robustaflavone 7,4',4'''-trimethyl ether

Common Name: Robustaflavone 7,4',4'''-trimethyl 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-​methoxyphenyl)​-

CAS Registry Number: 873999-82-7

InChI:

InChIKey:

Formula: C33H23O10

Molecular Weight: 580.545

Exact Mass: 579.1291

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 6.95 s
6 6.35 d 2
8 6.83 d 2
2' 7.84 d 2
5' 7.24 d 9
6' 8.1 dd 9, 2
3" 6.85 s
8" 6.63 s
2''', 6''' 8.03 d 9
3''', 5''' 7.1 d 9
5-OH 12.93 s
5"-OH 13.21 s
7"-OH 10.75 s
7-OCH3 3.84 s
4'-OCH3 3.8 s
4'''-OCH3 3.84 s

Carbon NMR Peaks

Position PPM
2 163.6
3 103.5
4 181.8
5 161.1
6 98.3
7 165
8 92.8
9 157.3
10 104.7
1' 122.3
2' 130.3
3' 122.6
4' 160.6
5' 111.8
6' 128
2" 163.9
3" (may be interchanged with 10") 103.7
4" 182
5" 158.8
6" 108.7
7" 161.3
8" 93.5
9" 156.4
10" (may be interchanged with 3") 103.8
1''' 122.8
2''' 128.2
3''' 114.6
4''' 162.3
5''' 114.6
6''' 128.2
7-OCH3 56.1
4'-OCH3 55.9
4'''-OCH3 55.5