4,2',4'-trihydroxychalcone-(3→O→4'')- 2''',4'''-dihydroxychalcone

4,2',4'-trihydroxychalcone-(3→O→4'')- 2''',4'''-dihydroxychalcone

Common Name: 4,2',4'-trihydroxychalcone-(3→O→4'')- 2''',4'''-dihydroxychalcone

Synonyms:

CAS Registry Number: 728916-05-0

InChI:

InChIKey:

Formula: C30H22O8

Molecular Weight: 510.498

Exact Mass: 510.1315

NMR Solvent: (CD3)2CO

MHz: 500 (1H), 75(13C)

Calibration: CO(CD3)2, C5D5N, CD3OD

NMR references: Cardoso, M., Lima, L., David, J., Moreira, B., Santos, E., David, J., Alves, C. (2015). A New Biflavonoid from Schinopsis brasiliensis (Anacardiacae). J. Braz. Chem. Soc. 26, 1527-1531.

Species: Schinopsis brasiliensis - Cardoso, M., Lima, L., David, J., Moreira, B., Santos, E., David, J., Alves, C. (2015). A New Biflavonoid from Schinopsis brasiliensis (Anacardiacae). J. Braz. Chem. Soc. 26, 1527-1531.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 7.74 d 2
5 7.15 d 8.4
6 7.65 dd 2, 8.4
3' 6.38 d 2.3
5' 6.43 dd 2.3, 8.9
6' 8.11 d 8.9
2" 7.86 d 8.6
3" 7.02 d 8.8
5" 7.02 d 8.8
6" 7.86 d 8.6
3''' 6.35 d 2.3
5''' 6.47 dd 2.3, 8.9
6''' 8.13 d 8.9
H-α 7.84 d 13.2
H-β 7.84 d 13.2
H-α'' 7.85 d 13.2
H-β'' 7.86 d 13.2
2'-OH 13.53 s
2"-OH 13.56 s

Carbon NMR Peaks

Position PPM
1 127.7
2 122.3
3 142.5
4 152.4
5 117.7
6 128.2
1' 113.4
2' 166.7
3' 102.8
4' 165.2
5' 108
6' 132.5
2" 129.2
2'' 130.6
3" 116.4
4" 160.4
5" 116.4
6" 130.6
1''' 113.4
2''' 166.7
3''' 102.8
4''' 165.3
5''' 108.1
6''' 132.5
C-α 118.6
C-β 143.4
C-α'' 119.1
C-β'' 143.4
C=O 191.8
C=O 191.8