Chrysocauloflavone I

Chrysocauloflavone I

Common Name: Chrysocauloflavone I

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

CAS Registry Number: 899789-51-6

InChI:

InChIKey:

Formula: C30H20O10

Molecular Weight: 540.48

Exact Mass: 540.1056

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)
6 6.14 brs
8 6.42 brs
2' 7.83 d 7.8
3' 6.87 d 7.8
5' 6.87 d 7.8
6' 7.83 d 7.8
2" 5.45 d 12
3" 2.7 d 16.8, 14.4
3'' 3.19 t
6" 5.79 brs
8" 5.81 brs
2''' 7.43 d 7.8
3''' 7.05 d 7.8
5''' 7.05 d 7.8
6''' 7.43 d 7.8

Carbon NMR Peaks

Position PPM
2 156.4
3 131.8
4 175.8
6 99.4
7 165.8
8 94.3
9 156.8
10 103.3
1' 119.8
2' 129.9
3' 115.7
4' 160.7
5' 115.7
6' 129.9
2" 77.9
3" 41.9
4" 195.1
5" 163.5
6" 96.3
7" 168.6
8" 95.4
9'' 162.6
10'' 101.1
1''' 132.6
2''' 128.3
3''' 114.9
4''' 156.7
5''' 114.9
6''' 128.3