Neochamaejasmin C

Neochamaejasmin C

Common Name: Neochamaejasmin C

Synonyms: [3,​3'-​Bi-​4H-​1-​benzopyran]​-​4,​4'-​dione, 2,​2',​3,​3'-​tetrahydro-​5,​5',​7,​7'-​tetrahydroxy-​2,​2'-​bis(4-​methoxyphenyl)​-​, (2R,​2'S,​3S,​3'S)​-​rel-​(+)​-

CAS Registry Number: 1338931-69-3

InChI:

InChIKey:

Formula: C32H26O10

Molecular Weight: 570.55

Exact Mass: 570.1526

NMR Solvent: acetone-d6

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

Calibration: TMS

NMR references: Li, J., Zhao, W., Hu, J., Cao, X., Yang, J., Li, X. (2011). A New C-3/C-3"-Biflavanone from the Roots of Stellera chamaejasme L. Molecules 16, 6465-6469.

Species: Stellera chamaejasme - Li, J., Zhao, W., Hu, J., Cao, X., Yang, J., Li, X. (2011). A New C-3/C-3"-Biflavanone from the Roots of Stellera chamaejasme L. Molecules 16, 6465-6469.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 5.77 d 4.8
3 3.24 br s
6 5.95 d 2
8 6.08 d 2
2' 7.36 d 8.6
3' 6.98 d 8.6
5' 6.98 d 8.6
6' 7.36 d 8.6
2" 5.22 d 8.8
3" 4.03 dd 8.8, 3.4
6" 5.87 d 2.4
8" 5.86 d 2.4
2''' 7.1 d 8.6
3''' 6.84 d 8.6
5''' 6.84 d 8.6
6''' 7.1 d 8.6
4'-OCH3 3.82 s
4'''-OCH3 3.79 s

Carbon NMR Peaks

Position PPM
2 79.9
3 48
4 197.2
5 164.2
6 96.2
7 166.5
8 95.3
9 163.9
10 104
1' 128.7
2' 127.43
3' 114.1
4' 159.8
5' 114.1
6' 127.4
2" 81.8
3" 49.3
4" 195
5" 164.5
6" 96
7" 166.7
8" 94.9
9" 162.1
10" 102.8
1''' 128.8
2''' 129.1
3''' 113.8
4''' 160.1
5''' 113.8
6''' 129.1
4'-OCH3 54.8
4'''-OCH3 54.8