3-Hydroxy-2,3-dihydroapigenyl-[I-4',O,II-3']-dihydrokaempferol

3-Hydroxy-2,3-dihydroapigenyl-[I-4',O,II-3']-dihydrokaempferol

Common Name: 3-Hydroxy-2,3-dihydroapigenyl-[I-4',O,II-3']-dihydrokaempferol

Synonyms: 4H-​1-​Benzopyran-​4-​one, 2-​[4-​[5-​[(2R,​3R)​-​3,​4-​dihydro-​3,​5,​7-​trihydroxy-​4-​oxo-​2H-​1-​benzopyran-​2-​yl]​-​2-​hydroxyphenoxy]​phenyl]​-​2,​3-​dihydro-​3,​5,​7-​trihydroxy-​, (2R,​3R)​- (9CI)

CAS Registry Number: 144224-02-2

InChI:

InChIKey:

Formula: C30H22O12

Molecular Weight: 574.49

Exact Mass: 574.1111

NMR Solvent: acetone-d6

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

Calibration: TMS

NMR references: Pegnyemb, D., Mbing, J., Atchade, A., Tih, R., Sondengam, B., Blond, A., Bodo, B. (2005). Antimicrobial biflavonoids from the aerial parts of Ouratea sulcata. Phytochemistry 66, 1922-1926.

Species: Ouratea sulcata - Pegnyemb, D., Mbing, J., Atchade, A., Tih, R., Sondengam, B., Blond, A., Bodo, B. (2005). Antimicrobial biflavonoids from the aerial parts of Ouratea sulcata. Phytochemistry 66, 1922-1926.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 5.14 d 11.8
3 4.62 d 11.8
6 (may be reversed with 8) 5.92 d 2.4
8 (may be reversed with 6) 5.96 d 2.4
2' 7.3 d 2.2
5' 7.13 d 8.8
6' 7.31 dd 2.2, 8.8
2'' 5.14 d 11.8
3'' 4.62 d 11.9
6'' (may be reversed with 8'') 5.92 d 2.4
8'' (may be reversed with 6'') 5.96 d 2.4
2''' 7.56 d 9
3''' 7.01 d 9
5''' 7.01 d 9
6''' 7.56 d 9
4'''-OH 8.79 s

Carbon NMR Peaks

Position PPM
2 83.8
3 73
4 197.9
10 101.4
5 164.7
6 (may be reversed with 8) 97
7 167.7
8 (may be reversed with 6) 96
9 164
1' 130.4
2' 122.3
3' 143.2
4' 150.6
5' 117.8
6' 126.3
2'' 83.9
3'' 73.1
4'' 197.9
10'' 101.4
5'' 164.7
6'' (may be reversed with 8'') 97
7'' 167.7
8'' (may be reversed with 6'') 96
9'' 164
1''' 132.1
2''' 130.3
3''' 116.9
4''' 159.4
5''' 116.9
6''' 130.3