Crystal structure and spectroscopic study of 4-(N-acetyl) cysteinyl-6,7-dimethoxy-2,2-dimethyl-3-hydroxybenzo-1H-pyran,a potential metabolite of glutathione conjugation of precocene II 3,4-epoxide期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Crystal structure and spectroscopic study of 4-(N-acetyl) cysteinyl-6,7-dimethoxy-2,2-dimethyl-3-hydroxybenzo-1H-pyran,a potential metabolite of glutathione conjugation of precocene II 3,4-epoxide

Authors:	F. Camps A. Conchillo A. Messeguer E. Molins C. Miravitlles

Affiliation:	(1) Departamento de Química Orgánica Biológica, C.I.D. (C.S.I. C.), Jorge Girona Salgado, 18-26, 08034 Barcelona, Spain;(2) Institute de Ciencia de Materiales (C. S. I. C), Martí i Pratiqués, s/n, Apartado de Correos 30102, 08028 Barcelona, Spain

Abstract:	The X-ray crystal structure of the title compound has been determined. The crystals are monoclinic:P2₁/a, a=9.804(7),b=20.544(4),c=13.288(3) Å,=105.94(4)°,V_c=2561.9 Å³,Z=4,D_x=1.39Mg m^–3, (MoK)=0.71069 Å. The structure was solved by direct methods and refined with 2147 reflections to a finalR value of 0.072. The 1h-pyran ring departs from ideal symmetry towards a half-chair conformation. Mass, IR, and¹H NMR spectra are also reported.

Keywords:
本文献已被 SpringerLink 等数据库收录！