Chrysocauloflavone III

Chrysocauloflavone III

Common Name: Chrysocauloflavone III

Synonyms:

CAS Registry Number:

InChI:

InChIKey:

Formula: C30H20O10

Molecular Weight: 540.48

Exact Mass: 540.1057

NMR Solvent: DMSO-d6

MHz: 600 (1H), 150 (13C)

Calibration: not indicated

NMR references: Swamy, R., Kunert, O., Schuhly, W., Bucar, F., Ferreira, D., Rani, V., Kumar, B., Rao, A. (2006). Structurally Unique Biflavonoids from Selaginella chrysocaulos and Selaginella bryopteris. Chem. Biodiversity 3, 405-414.

Species: Selaginella chrysocaulos - Swamy, R., Kunert, O., Schuhly, W., Bucar, F., Ferreira, D., Rani, V., Kumar, B., Rao, A. (2006). Structurally Unique Biflavonoids from Selaginella chrysocaulos and Selaginella bryopteris. Chem. Biodiversity 3, 405-414.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 5.61 dd 12.6, 2.7
3 2.81 dd 16.8, 2.7
3 3.22 dd 12.6, 16.8
6 5.71 brs
8 5.78 brs
2' 7.64 d 1.2
5' 7.48 d 1.2
6' 7.59 dd 8.4, 1.2
3" 5.03 s
6" 6.08 brs
8" 6.18 brs
2''' 6.8 d 8.4
3''' 7.32 d 8.4
5''' 7.32 d 8.4
6''' 6.8 d 8.4

Carbon NMR Peaks

Position PPM
2 77.6
3 42.1
4 194
10 100.6
5 162.6
6 96.9
7 163.9
8 96.3
1' 138.4
2' 129.5
3' 133.9
4' 147.6
5' 122
6' 127
3" 87.3
4" 182.7
10" 101.1
5" 161.3
6" 99.8
7" 165.8
8" 94.5
9" 155.7
1''' 157.5
2''' 115.4
3''' 129.9
4''' 126.1
5''' 129.9
6''' 115.4