The title compound, （2R,3R）-3,5,7-trihydroxyflavanone 3-acetate, is a flavanonol derivative which was first isolated from Myoporum bontioides A. Gray and characterized by MS, NMR and CD spectra. In addition, the str...The title compound, （2R,3R）-3,5,7-trihydroxyflavanone 3-acetate, is a flavanonol derivative which was first isolated from Myoporum bontioides A. Gray and characterized by MS, NMR and CD spectra. In addition, the structure was determined by X-ray single-crystal diffraction analysis. It crystallizes in the triclinic lattice, space group P21 with a = 10.686（3）, b = 6.862（2）, c = 11.267（3） , β = 107.46（1）, V = 788.3（4） 3, Z = 2, C17H16O7, Mr = 332.30, Dc = 1.400 g/cm3, μ（MoKα） = 0.110 mm-1, F（000） = 348, the final R = 0.0283 and wR = 0.0826 for 3428 independent reflections （Rint = 0.017） and 1500 observed ones （I 2σ（I））. The structure consists of one flavone and one water molecule. The flavone molecules form a 1D column by the p…π stacking interactions and C–H…O hydrogen bonds. The weak intermolecular/intermolecular O–H…O hydrogen bonds observed in the crystal give further rise to a complicated network structure. Primary bioassay showed that the title compound has high inhibitory activity against Magnaporthe grisea with the EC50 values of 199.41 μg/mL.展开更多
基金supported by the National Natural Science Foundation of China (20872039)the Science and Technology Projects of Guangdong Province (2007B031600004)the Key Academic Program of the 3rd Phase "211 Project" of South China Agricultural University (2009B010100001)
文摘The title compound, （2R,3R）-3,5,7-trihydroxyflavanone 3-acetate, is a flavanonol derivative which was first isolated from Myoporum bontioides A. Gray and characterized by MS, NMR and CD spectra. In addition, the structure was determined by X-ray single-crystal diffraction analysis. It crystallizes in the triclinic lattice, space group P21 with a = 10.686（3）, b = 6.862（2）, c = 11.267（3） , β = 107.46（1）, V = 788.3（4） 3, Z = 2, C17H16O7, Mr = 332.30, Dc = 1.400 g/cm3, μ（MoKα） = 0.110 mm-1, F（000） = 348, the final R = 0.0283 and wR = 0.0826 for 3428 independent reflections （Rint = 0.017） and 1500 observed ones （I 2σ（I））. The structure consists of one flavone and one water molecule. The flavone molecules form a 1D column by the p…π stacking interactions and C–H…O hydrogen bonds. The weak intermolecular/intermolecular O–H…O hydrogen bonds observed in the crystal give further rise to a complicated network structure. Primary bioassay showed that the title compound has high inhibitory activity against Magnaporthe grisea with the EC50 values of 199.41 μg/mL.
