3'-hydroxydaphnodorin A

3'-hydroxydaphnodorin A

Common Name: 3'-hydroxydaphnodorin A

Synonyms: [(2S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5-hydroxy-8-(4-hydroxyphenyl)-2H-furo[2,3-h]-1-benzopyran-9-yl](2,4,6-trihydroxyphenyl)methanone

CAS Registry Number: 1803699-97-9

InChI:

InChIKey:

Formula: C30H22O10

Molecular Weight: 542.496

Exact Mass: 542.1213

NMR Solvent: CD3OD

MHz: 500 (1H), 125 (13C)

Calibration: TMS

NMR references: Shao, M., Huang, X., Liu, J., Han, W., Cai, H., Tang, Q., Fan, Q. (2016). A new cytotoxic biflavonoid from the rhizome of Wikstroemia indica. Nat. Prod. Res. 30, 1417-1422.

Species: Wikstroemia indica - Shao, M., Huang, X., Liu, J., Han, W., Cai, H., Tang, Q., Fan, Q. (2016). A new cytotoxic biflavonoid from the rhizome of Wikstroemia indica. Nat. Prod. Res. 30, 1417-1422.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 4.76 d 8
3 2.7 m
4a 2.15 m
4b 1.81 m
6 6.51 s
2' 6.62 s
5' 6.61 d 6.4
6' 6.39 dd 6.4, 1.6
7" 6.12 d 1.6
9" 6.13 d 1.6
2''', 6''' 7.46 d 7
3''', 5''' 6.74 d 7

Carbon NMR Peaks

Position PPM
2 78.9
10 106.5
5 155.5
6 90.8
7 150.7
8 112.5
9 155
1' 135.2
2' 114.1
3' 146.2
4' 145.8
5' 116.8
6' 118.6
2" 150
3" 119.3
4" 197.6
5" 108.4
6" 166.8
7" 96.3
8" 168
9" 96
10" 166.7
1''' 124.1
2''', 6''' 128.8
3''', 5''' 116.9
4''' 159.2