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

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

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

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

CAS Registry Number: 275365-39-4

InChI:

InChIKey:

Formula: C33H26O10

Molecular Weight: 582.561

Exact Mass: 582.1526

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 6.36 brs
8 6.82 brs
2' 7.82 d 2
5' 7.22 d 8.5
6' 8.1 dd 2, 8.5
2" 5.53 dd 2.5, 13
3" 2.77 dd 2.5, 17.5
3'' 3.29 dd 13, 17.5
8" 6.34 s
2''', 6''' 7.38 d 8.5
3''', 5''' 6.84 d 8.5
5-OH 12.94 brs
5"-OH 12.18 brs
OH 9.62 brs
7-OCH3 3.84 s
4"-OCH3 3.78 s
7"-OCH3 3.72 s

Carbon NMR Peaks

Position PPM
2 163.6
3 103.7
4 181.9
5 161.1
6 98.1
7 165.2
8 92.7
9 157.3
10 104.7
1' 122.2
2' 130.2
3' 122.4
4' 160.8
5' 111.7
6' 128
2" 78.6
3" 41.9
4" 197.1
5" 159.6
6" 106.1
7" 165
8" 91.5
9" 162.9
10" 102.3
1''' 128.7
2''' 128.4
3''' 115.2
4''' 157.8
5''' 115.2
6''' 128.4
7-OCH3 56
4'-OCH3 55.9
7"-OCH3 56.3