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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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 |
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. |
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