Crystal structure of (9S,10S)-10-eth­oxy-9-hy­droxy-6,6,9-trimethyl-3-pentyl-7,8,9,10-tetra­hydro-6H-benzo[c]chromen-1-yl 4-methyl­benzene­sulfonate

Acta Crystallographica Section E: Crystallographic Communications

Galal, A.¹  Carvalho, P.¹  Gul, W.²  ElSohly, M.A.² 

[1] El Sohly Laboratories Inc., 5 Industrial Park Drive, Oxford, MS 38655, USA;National Center for Natural Products Research, The University of Mississippi, University, MS 38677, USA

关键词: CRYSTAL STRUCTURE;    HYDROGEN BONDING;    [DELTA]9-THC TOSYLATE;    PHOTOOXYGENATION;   

DOI  :  10.1107/S2056989015024044

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the structure of the title compound, C30H40O6S, the cyclo­hexene and heterocyclic rings are linked by a double bond. The cyclo­hexene ring has a half-chair conformation (the methyl­ene group adjacent to the hy­droxy substituent lies above the remaining atoms) and the hy­droxy and eth­oxy groups have equatorial and bis­ectional dispositions, respectively. The heterocyclic ring has an envelope conformation (with the CMe2 C atom being the flap). The dihedral angle between the aromatic rings is 53.88 (10)°. A long intra­molecular C—H⋯S inter­action is noted. In the mol­ecular packing, hy­droxy-O—H⋯O(sulfonate) hydrogen bonds lead to a helical chain along [010]. Connections between chains are of the type methyl-C—H⋯O(sulfonate) and lead to supra­molecular layers that lie parallel to (001). The studied crystal was an inversion twin.

【 授权许可】

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