Cargando…

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

In the structure of the title compound, C(30)H(40)O(6)S, 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 gr...

Descripción completa

Detalles Bibliográficos
Autores principales: Gul, Waseem, Galal, Ahmed, ElSohly, Mahmoud A., Carvalho, Paulo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719990/
https://www.ncbi.nlm.nih.gov/pubmed/26870509
http://dx.doi.org/10.1107/S2056989015024044
Descripción
Sumario:In the structure of the title compound, C(30)H(40)O(6)S, 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 CMe(2) 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.