Carvalho Paulo, Bikbulatov Ruslan, Zjawiony Jordan K, Avery Mitchell A
Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 28;64(Pt 7):o1370-1. doi: 10.1107/S160053680800144X.
The salvinorin A analog dimethyl (2R,3aR,4R,6aR,7R,9S,9aS,9bS)-2-(3-fur-yl)-9,9a-dihydr-oxy-3a,6a-dimethyl-dodeca-hydro-benzo[de]chromene-4,7-dicarboxyl-ate, C(22)H(30)O(8), has a relatively simple spatial arrangement in which mol-ecules are linked into layers by two pairs of O-H⋯O hydrogen bonds. Each mol-ecule has as the central feature a dodeca-hydro-1H-phenalene ring system. Its three six-membered rings are in the chair conformation, with two axial methyl groups, one axial OH, and one equatorial OH, these OH groups being directly responsible for linking of the mol-ecules in the crystal structure.
沙维诺林A类似物二甲基(2R,3aR,4R,6aR,7R,9S,9aS,9bS)-2-(3-呋喃基)-9,9a-二羟基-3a,6a-二甲基-十二氢苯并[de]色烯-4,7-二羧酸酯,C(22)H(30)O(8),具有相对简单的空间排列,其中分子通过两对O-H⋯O氢键连接成层。每个分子都有一个十二氢-1H-菲环系作为核心特征。它的三个六元环呈椅式构象,有两个轴向甲基、一个轴向OH和一个赤道面OH,这些OH基团直接负责晶体结构中分子的连接。