Calodenin A

Calodenin A

Common Name: Calodenin A

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

CAS Registry Number: 113201-66-4

InChI:

InChIKey:

Formula: C30H22O9

Molecular Weight: 526.497

Exact Mass: 526.1264

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: 1H NMR and 13C NMR data also collected with DMSO-d6 as solvent; see Messanga et al.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2'' 7.18 m
3'' 6.82 m
5'' 6.82 m
6'' 7.18 m
β 3.05 t 7.5
α 3.66 t 7.5
5 6.25 s
2 7.5 m
3 6.82 m
5 6.82 m
6 7.5 m
3''' 6.39 d 2.2
5''' 6.23 dd 8.9, 2.2
6''' 7.4 d 8.9
6 (OH) 13.47 s
2''' (OH) 12.36 s

Carbon NMR Peaks

Position PPM
1'' 132.1
2'' 129.5
3'' 115.9
4'' 156.4
5'' 115.9
6'' 129.5
β 30.4
α 45
c1 203
7 101.7
8 158
9 111.5
4 166.1
5 99.4
6 165.7
1' 121.3
2' 129.1
3' 116.5
4' 159.3
5' 116.5
6' 129.1
2 153.3
3 113.3
c2 196.5
1''' 115.3
2''' 166.1
3''' 103.3
4''' 166.1
5''' 109
6''' 136.5