Isolophirone C

Isolophirone C

Common Name: Isolophirone C

Synonyms: 1-​Propanone, 3-​[3-​(2,​4-​dihydroxybenzoyl)​-​2-​(4-​hydroxyphenyl)​-​5-​benzofuranyl]​-​1-​(2,​4-​dihydroxyphenyl)​-

CAS Registry Number: 352320-05-9

InChI:

InChIKey:

Formula: C30H22O8

Molecular Weight: 510.498

Exact Mass: 510.1315

NMR Solvent: acetone-d6

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

Calibration: TMS

NMR references: Pegnyemb, D., Tih, R., Sondengam, B., Blond, A., Bodo, B. (2001). Biflavonoids from Ochna afzelii. Phytochemistry 57, 579-582.

Species: Ochna afzelii - Pegnyemb, D., Tih, R., Sondengam, B., Blond, A., Bodo, B. (2001). Biflavonoids from Ochna afzelii. Phytochemistry 57, 579-582.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
4 7.42 d 1.8
7 7.53 d 8.5
6 7.36 dd 8.5, 1.8
α 3.33 t 7.5, 7.5
β 3.09 t 7.5, 7.5
3'' 6.3 d 2.3
5'' 6.39 dd 8.9, 2.3
6'' 7.79 d 8.9
2' 7.61 m
3' 6.88 m
5' 6.88 m
6' 7.61 m
3''' 6.49 d 2.3
5''' 6.23 dd 8.8, 2.3
6''' 7.38 d 8.8
OH 12.76 s
OH 12.76 s

Carbon NMR Peaks

Position PPM
5 137.9
4 120.7
9 129.7
8 153
7 111.6
6 126.6
α1 40.5
β1 30.9
C1 204.8
1'' 113.8
2'' 165.5
3'' 103.5
4'' 165.5
5'' 108.7
6'' 133.6
1' 121.7
2' 130.1
3' 116.5
4' 159.9
5' 116.5
6' 130.1
3 114.4
2 156.5
C2 196.1
1''' 114.4
2''' 166.5
3''' 103.5
4''' 166.5
5''' 109.1
6''' 136.5