Crystal structure of (±)-(4RS,5RS,7SR)-4-[(1RS,2RS,3RS,6RS)-3-benzo­yloxy-2-(2-hy­droxy­ethyl)-6-meth­oxy­meth­oxy-2-methyl­cyclo­hex­yl]-8,10,10-trimethyl-2-oxo-1,3-dioxa­spiro­[4.5]dec-8-en-7-yl benzoate benzene monosolvate

Acta Crystallographica Section E: Crystallographic Communications

Yamaguchi, Y.¹  Chida, N.¹  Sugai, T.¹  Watanabe, A.¹  Sato, T.¹  Fukaya, K.¹  Oishi, T.² 

[1] Department of Applied Chemistry, Faculty of Science and Technology, Keio University, Hiyoshi 3-14-1, Kohoku-ku, Yokohama 223-8522, Japan;School of Medicine, Keio University, Hiyoshi 4-1-1, Kohoku-ku, Yokohama 223-8521, Japan

关键词: CRYSTAL STRUCTURE;    HYDROGEN BONDS;    TAXANE SKELETON;    PACLITAXEL;   

DOI  :  10.1107/S2056989014026048

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the title compound, C36H44O10·C6H6, the dioxolane ring adopts an envelope conformation with the C atom bonded to the H atom as the flap, while the cyclo­hexene and cyclo­hexane rings are in half-chair and chair conformations, respectively. In the crystal, a pair of O—H⋯O hydrogen bonds with an R22(26) graph-set motif connect the benzoate mol­ecules into an inversion dimer. The dimers are linked by a weak C—H⋯O inter­action into a tape structure along [01-1]. The benzene mol­ecule links the tapes through C—H⋯O and C—H⋯π inter­actions, forming a sheet parallel to (100).

【 授权许可】

CC BY