2,3-dihydro-5,5",7,7",4'-pentahydroxy-6,6"-dimethyl-[3'-O-4''']-biflavone

2,3-dihydro-5,5",7,7",4'-pentahydroxy-6,6"-dimethyl-[3'-O-4''']-biflavone

Common Name: 2,3-dihydro-5,5",7,7",4'-pentahydroxy-6,6"-dimethyl-[3'-O-4''']-biflavone

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

CAS Registry Number: 1202407-16-6

InChI:

InChIKey:

Formula: C32H24O10

Molecular Weight: 568.53

Exact Mass: 568.137

NMR Solvent: DMSO-d6

MHz: 600 (1H), 200 (13C)

Calibration: not indicated

NMR references: Xu, J., Liu, X., Chen, K. (2009). A new biflavonoid from Selaginella labordei Hieron. ex Christ. Chin. Chem. Lett. 20, 939-941.

Species: Selaginella labordei - Xu, J., Liu, X., Chen, K. (2009). A new biflavonoid from Selaginella labordei Hieron. ex Christ. Chin. Chem. Lett. 20, 939-941.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
6-CH3 1.84 s
2 5.42 dd 3, 3
3ax 2.69 dd 17.4, 3
3eq 3.22 dd 17.4, 12.6
5-OH 12.35 s
8 5.95 s
2' 7.24 d 7.8
5' 7.02 d 8.4
6' 7.25 s
6"-CH3 1.95 s
3" 6.82 s
5"-OH 13.08 s
8" 6.53 s
2''' 7.99 d 9
3''' 6.95 d 9
5''' 6.95 d 9
6''' 7.99 d 9

Carbon NMR Peaks

Position PPM
6-CH3 7.6
2 78.5
3 47.7
4 196.9
5 161.4
6 103.9
7 165.3
8 94.9
9 160.8
10 102.1
1' 131.1
2' 121.9
3' 141.7
4' 150.3
5' 117.9
6' 125.7
6"-CH3 8
2" 163.5
3" 104.6
4" 182.4
5" 159.1
6" 107.6
7" 162.9
8" 93.7
9" 155.6
10" 104.1
1''' 124.9
2''' 129
3''' 116.8
4''' 161.5
5''' 116.8
6''' 129