Baeckein H

Baeckein H

Common Name: Baeckein H

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

CAS Registry Number: 1579241-97-6

InChI:

InChIKey:

Formula: C38H30O19

Molecular Weight: 790.639

Exact Mass: 790.1381

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 1.83 s
8 6.13 s
3' 6.61 s
6' 7.05 s
6''-CH3 2 s
2''' 7.44 d 8.7
5''' 8.1 d 2
6''' 7.96 dd 8.7, 2
glc-1 4.94 d 7
glc-2 3.39 m
glc-3 3.45 m
glc-4 3.23 m
glc-5 3.34 m
glc-6 3.54 dd 11.2, 5
glc-6 3.79 dd 11.3, 2

Carbon NMR Peaks

Position PPM
2 111.6
3 93.8
4 181.1
5 161.6
6 105.7
6-CH3 6.9
7 167.4
8 96.2
9 156.8
10 100.2
1' 115.1
2' 149.1
3' 98.9
4' 150.5
5' 142.1
6' 110
2'' 146.2
3'' 137.2
4'' 176.3
5'' 161.5
6'' 102.6
6''-CH3 7.2
7'' 160.3
8'' 102.9
9'' 148.4
10'' 105
1''' 125.2
2''' 116.2
3''' 147
4''' 147.3
5''' 115.3
6''' 119.4
glc-1 101.6
glc-2 73.3
glc-3 77.2
glc-4 69.8
glc-5 75.9
glc-6 60.7