4-4'-Dimethoxy-2'-hydroxychalcone-3→O→4")-2'"-hydroxy-4'"-methoxychalcone (luxenchalconetrimethylether)

4-4'-Dimethoxy-2'-hydroxychalcone-3→O→4")-2'"-hydroxy-4'"-methoxychalcone (luxenchalconetrimethylether)

Common Name: 4-4'-Dimethoxy-2'-hydroxychalcone-3→O→4")-2'"-hydroxy-4'"-methoxychalcone (luxenchalconetrimethylether)

Synonyms: hydroxy-4’”-methoxychalcone (luxenchalconetrimethylether),

CAS Registry Number: 728910-81-4

InChI:

InChIKey:

Formula: C33H28O8

Molecular Weight: 552.579

Exact Mass: 522.1784

NMR Solvent: CDCl3

MHz: 400 (1H), 100 (13C)

Calibration: TMS

NMR references: de Carvalho, M., Alves, C., da Silva, K., Eberlin, M., Werle, A. (2004). Luxenchalcone, a New Bichalcone and other Constituents from Luxemburgia octandra. J. Braz. Chem. Soc. 15, 146-149.

Species: synthesis - de Carvalho, M., Alves, C., da Silva, K., Eberlin, M., Werle, A. (2004). Luxenchalcone, a New Bichalcone and other Constituents from Luxemburgia octandra. J. Braz. Chem. Soc. 15, 146-149.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 7.43 d 2.2
5 7.06 d 8.4
6 7.49 dd 8.4, 2.2
3' 6.47 m
5' 6.48 dd 9, 2.2
6' 7.81 d 9
2" 7.62 d 8.4
3" 6.97 d 8.4
5" 6.97 d 8.4
6" 7.62 d 8.4
3''' 6.47 m
5''' 6.46 dd 9, 2.2
6''' 7.77 d 9
H-α 7.42 d 15.4
H-α'' 7.49 d 15.4
H-β 7.81 d 15.4
H-β'' 7.86 d 15.4
HO 13.49 br
HO 13.45 s
CH3O-4', 4''' 3.86 s
CH3O-4', 4''' 3.85 s
CH3O-4 3.88 s

Carbon NMR Peaks

Position PPM
1 128.4
2 121.1
3 144
4 153.8
5 112.9
6 127.6
1' 114.1
2' 166.2
3' 101.1
4' 166.6
5' 107.7
6' 131.1
1" 129.3
2" 130.3
3" 116.8
4" 160.1
5" 116.8
6" 130.3
1''' 114
2''' 166.2
3''' 101.1
4''' 166.6
5''' 107.7
6''' 131.1
H-α 118.8
H-α'' 119
H-β 143.2
H-β'' 143.8