Crystal Structure of 8-Demethoxyrunanine

A new hasubanane-type alkaloid,8-demethoxyrunanine,was isolated from Sino-menium acutum and characterized by melting point,HREIMS,1H NMR,and X-ray diffraction analysis.X-ray diffraction reveals that the title compound crystallizes in the orthorhombic system,space group P212121 with a=7.308(1),b=21.742(5),c=22.893(4),V=3637.5(11)3,Z=8,Dx=1.254 g/cm3,F(000)=1472,μ(MoKα)=0.087 mm-1,the final R=0.0438 and wR=0.0575 for 4497 independent reflections with Rint=0.0192 and 2091 observed reflections with I > 2σ(I).Four rings(ring A:one benzene ring,ring B:one hexagon carbon ring in a half-chair conformation,ring C:one hexagon carbon ring with α,β-unsaturated ketone segment(-CR2=CR1-C=O) in a screw-boat conformation,and ring D:one nonplanar tetrahydropyrrole) form a hasubanane-type alkaloid.