2,3-Dihydrorobustaflavone 5-methyl ether

2,3-Dihydrorobustaflavone 5-methyl ether

Common Name: 2,3-Dihydrorobustaflavone 5-methyl ether

Synonyms: 4H-​1-​Benzopyran-​4-​one, 2-​[3-​[5,​7-​dihydroxy-​2-​(4-​hydroxyphenyl)​-​4-​oxo-​4H-​1-​benzopyran-​6-​yl]​-​4-​hydroxyphenyl]​-​2,​3-​dihydro-​7-​hydroxy-​5-​methoxy-​, (2S)​-

CAS Registry Number: 1037223-36-1

InChI:

InChIKey:

Formula: C31H22O10

Molecular Weight: 554.507

Exact Mass: 554.1213

NMR Solvent: acetone-d6

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

Calibration: TMS

NMR references: Aguilar, M., Romero, M., Chavez, M., King-Diaz, B., Lotina-Hennsen, B. (2008). Biflavonoids Isolated from Selaginella lepidophylla Inhibit Photosynthesis in Spinach Chloroplasts. J. Agric. Food Chem. 56, 6994-7000.

Species: Selaginella lepidophylla - Aguilar, M., Romero, M., Chavez, M., King-Diaz, B., Lotina-Hennsen, B. (2008). Biflavonoids Isolated from Selaginella lepidophylla Inhibit Photosynthesis in Spinach Chloroplasts. J. Agric. Food Chem. 56, 6994-7000.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 5.36 dd 13, 3
3-ax 2.59 dd 16.5, 2.5
3-eq 2.99 dd 16.2, 13.2
6 6.1 d 2
8 6.04 d 2
2' 7.43 d 2.5
5' 6.97 d 8.5
6' 7.35 dd 8.5, 2.5
3" 6.61 s
8" 6.64 s
2''' 7.92 d 9
3''' 7.01 d 9
5''' 7.01 d 9
6''' 7.92 d 9
5-OCH3 3.76 s
5" 13.46

Carbon NMR Peaks

Position PPM
2 79.9
3 46.5
4 188.3
5 163.7
6 94
7 165
8 96.7
9 166
10 106.2
1' 130.8
2' 132.2
3' 121
4' 157.1
5' 117.3
6' 127.9
2" 164.7
3" 104
4" 183
5" 161.6
6" 110.5
7" 164.7
8" 95.1
9'' 158
10'' 104.8
1''' 123.4
2''' 129.2
3''' 116.8
4''' 161.8
5''' 116.8
6''' 129.2
5-OCH3 56