2,3-Dihydro-5'-hydroxyrobustaflavone

2,3-Dihydro-5'-hydroxyrobustaflavone

Common Name: 2,3-Dihydro-5'-hydroxyrobustaflavone

Synonyms: 4H-​1-​Benzopyran-​4-​one, 2-​[3-​[5,​7-​dihydroxy-​2-​(4-​hydroxyphenyl)​-​4-​oxo-​4H-​1-​benzopyran-​6-​yl]​-​4,​5-​dihydroxyphenyl]​-​2,​3-​dihydro-​5,​7-​dihydroxy-​, (S)​- (9CI)

CAS Registry Number: 122475-60-9

InChI:

InChIKey:

Formula: C30H20O11

Molecular Weight: 556.479

Exact Mass: 556.1006

NMR Solvent: DMSO-d6

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

Calibration: not indicated

NMR references: Rampendahl, C., Seeger, T., Geiger, H., Zinsmeister, H. (1996). The Biflavonoids of Plagiomnium undulatum. Phytochemistry 41, 1621-1624.

Species: Plagiomnium undulatum - Rampendahl, C., Seeger, T., Geiger, H., Zinsmeister, H. (1996). The Biflavonoids of Plagiomnium undulatum. Phytochemistry 41, 1621-1624.

Notes: No J-values given by Rampendahl et al. for 1H NMR data.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 5.39 dd
3 ax 3.23 dd
3 eq 2.66 dd
6 5.87 d (meta-coupled)
8 5.89 d (meta-coupled)
2' 6.76 d (meta-coupled)
6' 6.86 d (meta-coupled)
3" 6.74 s
8" 6.5 s
2''' 7.92 d (ortho-coupled)
3''' 6.93 d (ortho-coupled)
5''' 6.93 d (ortho-coupled)
6''' 7.92 d (ortho-coupled)

Carbon NMR Peaks

Position PPM
2 78.8
3 42.1
4 196.3
5 163.1
6 95.7
7 166.6
8 94.9
9 163
10 101.8
1' 127.5
2' 121.4
3' 120.7
4' 145.6
5' 145
6' 112.2
2" 163.5
3" 102.6
4" 181.6
5" 159
6" 110.3
7" 163
8" 94
9" 156.2
10" 102.6
1''' 121.4
2''' 128.3
3''' 115.9
4''' 161
5''' 115.9
6''' 128.3