一种微生物产物曲霉素C9H12O4晶体和分子结构

一种微生物产物曲霉素C₉H₁₂O₄晶体和分子结构

摘要: 本文从一种微生物代谢产物中分离到一种曲霉素C9H12O4,采用2DNMR、IR、MS和元素分析等手段对此化合物进行了结构表征,推导出其化学结构,并通过X-晶体衍射测定进一步肯定了上述结论。分子式为C9H12O4,分子量184.21,为斜方晶系,空间群为P212121.晶胞参数:a=4.422(4)、b=14.266(7)、C=14.944(6)A,V=943(2)A3,Z=4,μ=0.96/cm,Dc=1.31g/cm3,F(000)=400,最终偏差因子R=0.0491,Rw=0.059。

Abstract: The molecular structure of aspergillin C9H12O4 from a microorganism metabolite has been determined by NMR.IR.MS,element;analysis methods and x-ray diffraction method.The molecular weight was 184.21.The crystal was a monoclinic type.The space group was P212121.With the parameters of a=4.422(4),b=14.266(7),c=14.994(6)A,V=943(2)A3A,Z=4,μ=0.96/cm,Dc=1.13 g/cm3,F(000)=400.The final deviate factor was R=O.0491,Rw=0.059.