Lophirone K

Lophirone K

Common Name: Lophirone K

Synonyms: 2-​Propen-​1-​one, 3-​[(2R,​3R)​-​3-​(2,​4-​ dihydroxybenzoyl)​-​2,​3-​dihydro-​3-​hydroxy-​2-​(4-​hydroxyphenyl)​-​ 5-​benzofuranyl]​-​1-​(2,​4-​dihydroxyphenyl)​-​, (2E)​-​rel-

CAS Registry Number: 156162-02-6

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:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
4 7.96 d 1.7
7 7.07 d 8.4
6 7.88 dd 8.4, 1.7
β 7.91 d 15.3
α 7.86 d 15.3
3'' 6.36 d 2.2
5'' 6.45 dd 8.9, 2.2
6'' 8.11 d 8.9
2' 6.97 m
3' 6.52 m
5' 6.52 m
6' 6.97 m
2 6.01 s
3''' 6.14 d 2.3
5''' 6.35 dd 7.5, 2.3
6''' 8.28 d 7.5
2'' (OH) 13.58 s
2''' (OH) 12.23 s

Carbon NMR Peaks

Position PPM
5 129.4
4 128.7
9 132
8 163.7
7 111.3
6 133.4
β 144.9
α 119.2
c1 192.8
1'' 114.5
2'' 167.5
3'' 103.7
4'' 165.7
5'' 108.1
6'' 133.4
1' 127.5
2' 129.3
3' 115.5
4' 158.4
5' 115.5
6' 129.3
2 96.7
3 91.1
c2 200.8
1''' 112.8
2''' 167.5
3''' 103.1
4''' 165.5
5''' 108.1
6''' 136.8