Dai Jingqiu, Hussain Hidayat, Dräger Siegfried, Schulz Barbara, Kurtán Tibor, Pescitelli Gennaro, Flörke Ulrich, Krohn Karsten
Department of Chemistry, Universität Paderborn, Warburger Strasse 100, 33098 Paderborn, Germany.
Nat Prod Commun. 2010 Aug;5(8):1175-80.
A new metabolite, 3,16-diketoaphidicolan (1), was isolated together with four known compounds: aphidicolin (2), 17-acetyl-aphidicolin (3), (+)-eupenoxide (4), and phomoxanthone A (5) from the endophytic fungus Phoma sp. The structure of the new compound 1 was determined by spectroscopic methods (mainly extensive 1D and 2D NMR experiments and by mass spectral measurements) and confirmed by X-ray crystallography. Its absolute configuration was assigned by means of the solid-state CD/TDDFT approach comparing the solid-state CD spectrum with the TDDFT-calculated one on the X-ray geometry.
从内生真菌茎点霉属(Phoma sp.)中分离出一种新的代谢产物3,16 - 二酮蚜二孢菌素(1),以及四种已知化合物:蚜二孢菌素(2)、17 - 乙酰蚜二孢菌素(3)、(+)- 桉叶环氧醚(4)和茎点黄醌A(5)。通过光谱方法(主要是广泛的一维和二维核磁共振实验以及质谱测量)确定了新化合物1的结构,并通过X射线晶体学进行了确认。通过固态圆二色光谱/含时密度泛函理论(CD/TDDFT)方法,将固态CD光谱与基于X射线几何结构的TDDFT计算光谱进行比较,确定了其绝对构型。