Caesalflavone

Caesalflavone

Common Name: Caesalflavone

Synonyms: 2,3-Dihydrorobustaflavone

CAS Registry Number: 883904-81-2

InChI:

InChIKey:

Formula: C30H20O10

Molecular Weight: 540.48

Exact Mass: 540.1057

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.

Bahia, M., dos Santos, J., David, J., David, J. (2005). Biflavonoids and other Phenolics from Caesalpinia pyramidalis (Fabaceae). J. Braz. Chem. Soc. 16, 1402-1405.

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 5.48 dd 13, 3
3-ax 2.75 dd 17, 3
3-eq 3.22 dd 17, 13
6 5.96 d 2
8 5.93 d 2
2' 7.39 br s
5' 7 dd 8, 0.5
6' 7.38 dd 8, 2
3" 6.64 s
8" 6.68 s
2''' 7.93 d 8.5
3''' 7.01 d 8.5
5''' 7.01 d 8.5
6''' 7.93 d 8.5
5-OH 12.21 s
5" 13.41

Carbon NMR Peaks

Position PPM
2 80.1
3 46.6
4 197.3
5 164.5
6 95.8
7 167.4
8 96.8
9 165.3
10 103.2
1' 130.6
2' 132.2
3' 120.5
4' 157
5' 117
6' 128.4
2" 165
3" 104.1
4" 183.2
5" 161
6" 110
7" 163
8" 94.7
9" 158
10" 105.3
1''' 123.3
2''' 129.2
3''' 116.9
4''' 161.9
5''' 116.9
6''' 129.2