(2''R)-2",3"-dihydrorobustaflavone 7,4'-dimethyl ether

(2''R)-2",3"-dihydrorobustaflavone 7,4'-dimethyl ether

Common Name: (2''R)-2",3"-dihydrorobustaflavone 7,4'-dimethyl ether

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

CAS Registry Number: 275365-38-3

InChI:

InChIKey:

Formula: C32H24O10

Molecular Weight: 568.53

Exact Mass: 568.1369

NMR Solvent: DMSO-d6

MHz: 500.0

Calibration: Deuterated solvent was internal standard.

NMR references: Lin, L., Kuo, Y., Chou, C. (2000). Cytotoxic Biflavonoids from Selaginella delicatula. J. Nat. Prod. 63, 627-630.

Species: Selaginella delicatula - Lin, L., Kuo, Y., Chou, C. (2000). Cytotoxic Biflavonoids from Selaginella delicatula. J. Nat. Prod. 63, 627-630.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
3 6.94 s
6 6.35 d 2
8 6.85 d 2
2' 7.82 d 2
5' 7.22 d 8.5
6' 8.11 dd 2, 8.5
2" 5.53 dd 3, 13
3" 2.73 dd 3, 17.5
3'' 3.27 dd 13, 17.5
8" 6.07 s
2''', 6''' 7.35 d 8
3''', 5''' 6.81 d 8
5-OH 12.93 brs
5"-OH 12.37 brs
OH 10.72 brs
OH 9.6 brs
7-OCH3 3.83 s
4"-OCH3 3.78 s

Carbon NMR Peaks

Position PPM
2 163.7
3 103.6
4 181.9
5 161.1
6 98.2
7 165.2
8 92.7
9 157.3
10 104.8
1' 122.1
2' 130.4
3' 122.7
4' 160.9
5' 111.7
6' 127.9
2" 78.3
3" 41.9
4" 196.6
5" 160.9
6" 105.4
7" 164.3
8" 94.5
9" 161.9
10" 101.5
1''' 128.9
2''' 128.4
3''' 115.2
4''' 157.8
5''' 115.2
6''' 128.4
7-OCH3 56.1
4'-OCH3 55.8