Calodenin B

Calodenin B

Common Name: Calodenin B

Synonyms: 2-​Propen-​1-​one, 1-​[3-​(2,​4-​dihydroxybenzoyl)​-​4,​6-​dihydroxy-​2-​(4-​hydroxyphenyl) ​-​7-​benzofuranyl]​-​3-​(4-​hydroxyphenyl)​-​, (2E)​-

CAS Registry Number: 88901-97-7

InChI:

InChIKey:

Formula: C30H20O9

Molecular Weight: 524.481

Exact Mass: 524.1107

NMR Solvent: acetone-d6

MHz: 300 (1H), 75 (13C)

Calibration: TMS

NMR references: Messanga, B., Tih, R., Sondengam, B., Martin, M., Bodo, B. (1994). Biflavonoids from Ochna calodendron. Phytochemistry 35, 791-794.

Species: Ochna calodendron - Messanga, B., Tih, R., Sondengam, B., Martin, M., Bodo, B. (1994). Biflavonoids from Ochna calodendron. Phytochemistry 35, 791-794.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2'' 7.74 m
3'' 7 m
5'' 7 m
6'' 7.74 m
β 7.95 d 15.4
α 8.29 d 15.4
5 6.28 s
2' 7.64 m
3' 6.94 m
5' 6.94 m
6' 7.64 m
3''' 6.39 d 2.2
5''' 6.24 dd 8.9, 2.2
6''' 7.46 d 8.9

Carbon NMR Peaks

Position PPM
1'' 127.7
2'' 131.6
3'' 116.9
4'' 161.1
5'' 116.9
6'' 131.6
β 145.1
α 123
c1 190.6
7 102.5
8 155
9 115.4
4 167.1
5 99.7
6 158.6
1' 121.7
2' 129.3
3' 116.7
4' 159.5
5' 116.7
6' 129.3
2 153.5
3 113.7
c2 196.7
1''' 115.4
2''' 166.2
3''' 103.3
4''' 166.3
5''' 109.1
6''' 136.8