(2S)-2,3-Dihydroamentoflavone 7,4',7"-trimethyl ether

(2S)-2,3-Dihydroamentoflavone 7,4',7"-trimethyl ether

Common Name: (2S)-2,3-Dihydroamentoflavone 7,4',7"-trimethyl ether

Synonyms: 4H-​1-​Benzopyran-​4-​one, 2,​3-​dihydro-​5-​hydroxy-​2-​[3-​[5-​hydroxy-​2-​(4-​hydroxyphenyl)​-​7-​methoxy-​4-​oxo-​4H-​1-​benzopyran-​8-​yl]​-​4-​methoxyphenyl]​-​7-​methoxy-​, (2S)​-

CAS Registry Number: 873999-86-1

InChI:

InChIKey:

Formula: C33H26O10

Molecular Weight: 582.561

Exact Mass: 582.1526

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)
2 5.61 dd 13, 3
3 2.75 dd 17, 3
3 3.43 dd 17, 13
6 6.07 d 2
8 6.1 d 2
2' 7.5 d 2
5' 7.21 d 8.5
6' 7.6 dd 8.5, 2
3" 6.84 s
6" 6.61 s
2''', 6''' 7.59 d 8.5
3''', 5''' 6.79 d 8.5
5-OH 12.12 s
5"-OH 13.18 s
4'''-OH 10.35 s
7-OCH3 3.75 s
4'-OCH3 3.73 s
7"-OCH3 3.81 s

Carbon NMR Peaks

Position PPM
2 78.5
3 42.2
4 196.6
5 163.2
6 94.6
7 167.2
8 93.6
9 162.8
10 102.4
1' 129.7
2' 131.3
3' 120.5
4' 157.2
5' 111
6' 128
2" 163.8
3" 102.4
4" 182.3
5" (may be interchanged with 4''') 161.1
6" 95.4
7" 162.5
8" 105.5
9" 153.5
10" 103.9
1''' 121.3
2''' 128.3
3''' 115.8
4''' (may be interchanged with 5") 161.2
5''' 115.8
6''' 128.3
7-OCH3 55.8
4'-OCH3 55.5
7"-OCH3 56.2