3,5,7,4',3",5",7"-heptahydroxy-3'-O-4'''-biflavanone

3,5,7,4',3",5",7"-heptahydroxy-3'-O-4'''-biflavanone

Common Name: 3,5,7,4',3",5",7"-heptahydroxy-3'-O-4'''-biflavanone

Synonyms: 4H-1-Benzopyran-4-one, 2-[3-[4-(3,4-dihydro-3,5,7-trihydroxy-4-oxo-2H-1-benzopyran-2-yl)phenoxy]-4-hydroxyphenyl]-2,3-dihydro-3,5,7-trihydroxy-, [2R-[2α(2R*,3R*),3β]]-

CAS Registry Number: 144224-02-2

InChI:

InChIKey:

Formula: C30H22O12

Molecular Weight: 574.49

Exact Mass: 574.1111

NMR Solvent: not indicated

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

Calibration: acetone-d6

NMR references: Sievers, H., Burkhardt, G., Becker, H., Zinsmeister, H. (1992). Hypnogenols and Other Dihydroflavonols from the Moss Hypnum cupressiforme. Phytochemistry 31, 3233-3237.

Species: Hypnum cupressiforme - Sievers, H., Burkhardt, G., Becker, H., Zinsmeister, H. (1992). Hypnogenols and Other Dihydroflavonols from the Moss Hypnum cupressiforme. Phytochemistry 31, 3233-3237.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 5.16 d 11.6
3 4.67 not indicated 11.6
5-OH 11.67 s
6 5.95 d 2.4
8 5.99 d 2.4
2' 7.3 d 2.2
5' 7.1 d 8.3
6' 7.34 dd 8.3, 2.2
2" 5.12 d 11.6
3" ax 4.64 d 11.6
5"-OH 11.68 s
6" 5.95 d 2.4
8" 5.98 d 2.4
2''' 7.54 m
3'''a 6.99 m
5''' 6.99 m
6''' 7.54 m

Carbon NMR Peaks

Position PPM
2 83.9
3, 3" 73.1
6, 6" 97.2
8, 8" 96.2
2' 122.2
5' 117.9
6' 125.8
2" 84.02
3''', 5''' 117.2
2''', 6''' 130.3