Baeckein F

Baeckein F

Common Name: Baeckein F

Synonyms: 13a,​7a-​(Epoxy[1,​2]​benzeno)​-​4H,​8H-​furo[3,​2-​b:5,​4-​h']​bis[1]​benzopyran-​4,​8-​dione, 2-​(3,​4-​dihydroxyphenyl)​-​3,​5,​9,​11,​18,​19-​hexahydroxy-​6,​10-​dimethyl-​, (7aS,​13aS)​-

CAS Registry Number: 1579241-93-2

InChI:

InChIKey:

Formula: C32H20O14

Molecular Weight: 628.498

Exact Mass: 628.0853

NMR Solvent: DMSO-d6

MHz: 500 (1H), 125 (13C)

Calibration: TMS

NMR references: Jia, B., Zeng, X., Ren, F., Jia, L., Chen, X., Yang, J., Liu, H., Wang, Q. (2014). Baeckeins F-I, four novel C-methylated biflavonoids from the roots of Baeckea frutescens and their anti-inflammatory activities. Food Chem. 155, 31-37.

Species: Baeckea frutescens - Jia, B., Zeng, X., Ren, F., Jia, L., Chen, X., Yang, J., Liu, H., Wang, Q. (2014). Baeckeins F-I, four novel C-methylated biflavonoids from the roots of Baeckea frutescens and their anti-inflammatory activities. Food Chem. 155, 31-37.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
6-CH3 1.86 s
8 6.18 s
3' 6.64 s
6' 7.09 s
6''-CH3 2.05 s
2''' 7.12 d 8.7
5''' 8.1 d 2
6''' 7.9 dd 8.7, 2

Carbon NMR Peaks

Position PPM
2 111.6
3 93.8
4 181
5 161.6
6 105.6
6-CH3 6.9
7 167.7
8 96.3
9 156.8
10 100
1' 115.2
2' 149
3' 98.9
4' 150.4
5' 142.1
6' 110.1
2'' 147.2
3'' 136.4
4'' 176
5'' 161.4
6'' 102.5
6''-CH3 7.2
7'' 160.3
8'' 102.9
9'' 148.2
10'' 105
1''' 122
2''' 116
3''' 145.4
4''' 148.3
5''' 115.6
6''' 119.5