(2''S)-2′′,3′′-dihydrohinokiflavone

(2''S)-2′′,3′′-dihydrohinokiflavone

Common Name: (2''S)-2′′,3′′-dihydrohinokiflavone

Synonyms: 4H-​1-​Benzopyran-​4-​one, 6-​[4-​(5,​7-​dihydroxy-​4-​oxo-​4H-​1-​benzopyran-​2-​yl)​phenoxy]​-​2,​3-​dihydro-​5,​7-​dihydroxy-​2-​(4-​hydroxyphenyl)​-​, (2S)​-

CAS Registry Number: 899788-49-9

InChI:

InChIKey:

Formula: C30H20O10

Molecular Weight: 540.48

Exact Mass: 540.1056

NMR Solvent: acetone-d6

MHz: 300 (1H), 75 (13C)

Calibration: not indicated

NMR references: Das, B., Mahender, G., Rao, Y., Thirupathi, P. (2006). A new biflavonoid from Cycas beddomei. Indian J. Chem. 45B, 1933-1935.

Species: Cycas beddomei - Das, B., Mahender, G., Rao, Y., Thirupathi, P. (2006). A new biflavonoid from Cycas beddomei. Indian J. Chem. 45B, 1933-1935.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
3 6.71 s
6, 8 5.9 d 2.2
2', 6' 7.98 d 8
3', 5' 7 d 8
2" 5.54 dd 13, 2.8
3"α 2.9 dd 17, 2.8
3"β 3.21 dd 17, 13
8" 6.62 s
2''', 6''' 7.44 d 8
3''', 5''' 6.94 d 8
5-OH 12.05 s
7-OH 9.7 br s
5"-OH 13.1 s
7"-OH 9.3 br s
4'''-OH 8.9 br s

Carbon NMR Peaks

Position PPM
2 165.6
3 103.8
4 183.5
5 165.3
6 96.9
7 167.4
8 95.4
9 164.2
10 105.9
1' 123.3
2' 129.4
3' 116
4' 159.1
5' 116
6' 129.4
2" 79.7
3" 43.5
4" 197
5" 155.2
6" 126.5
7" 158
8" 95.9
9" 154.8
10" 103.2
1''' 133.5
2''' 128.7
3''' 116.9
4''' 162.1
5''' 116.9
6''' 128.7