Crystal Structure of 6β,7β,14β-Trihydroxy-1α-acetoxy-7α,20-epoxy-ent-kaur-16-en-15-one

WANG Tao; DING Lan; GUO Guo-Cong

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Crystal Structure of 6β,7β,14β-Trihydroxy-1α-acetoxy-7α,20-epoxy-ent-kaur-16-en-15-one

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6β,7β,14β-Trihydroxy-1α-acetoxy-7α,20-epoxy-ent-kaur-16-en-15-one was isolated from the natural plant of Isodon japonica (Burm.f), Haravar. Galaucocalyx (maxim) Hara. The structure was elucidated by means of spectral and chemical studies. In addition, its crystal was determined by single-crystal X-ray diffraction analysis. It crystallizes in triclinic, space group P1, Z=2, a=6.3506(4), b=13.5766(8), c=15.2777(9) (A), α=80.506(1), β=83.856(1), γ=88.307(1)°, C25H36O9, Mr=480.54, V=1291.64(13) (A)3, Z=2, Dc=1.236 g/cm3, F(000)=516, μ=0.093 mm-1, S=0.988, the final R=0.0761 and Wr=0.1955. Flack factor is 0.02(19), and the largest peak and deepest hole on the final difference Fourier map are 0.556 and -0.265 e/(A)3, respectively. The X-ray diffraction shows the existence of intermolecular C-H…O (DA) hydrogen bonds between adjacent molecules.

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《结构化学》 |2007年第4期|457-461|共5页
作者
WANG Tao; DING Lan; GUO Guo-Cong;
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作者单位

Department of Chemistry and Chemical Engineering, Heze University, Shandong 274015, China;

College of Life Sciences, Northwest Normal University, Lanzhou, Gansu 730070, China;

State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, The Chinese Academy of Sciences, Fuzhou, Fujian 350002, China;

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原文格式 PDF
正文语种 chi
中图分类物理化学（理论化学）、化学物理学;
关键词
single-crystal; crystal structure; diterpenoid;

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Crystal Structure of 6β,7β,14β-Trihydroxy-1α-acetoxy-7α,20-epoxy-ent-kaur-16-en-15-one

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