title: Crystal structure of (9S,10S)-10-eth-oxy-9-hy-droxy-6,6,9-trimethyl-3-pentyl-7,8,9,10-tetra-hydro-6H-benzo[c]chromen-1-yl 4-methyl-benzene-sulfonate.
abstract: In the structure of the title compound, C30H40O6S, the cyclo-hexene and heterocyclic rings are linked by a double bond. The cyclo-hexene ring has a half-chair conformation (the methyl-ene group adjacent to the hy-droxy substituent lies above the remaining atoms) and the hy-droxy and eth-oxy groups have equatorial and bis-ectional 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 intra-molecular C-H⋯S inter-action is noted. In the mol-ecular packing, hy-droxy-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 supra-molecular layers that lie parallel to (001). The studied crystal was an inversion twin.
authors: National Center for Natural Products Research, The University of Mississippi, University, MS 38677, USA; El Sohly Laboratories Inc., 5 Industrial Park Drive, Oxford, MS 38655, USA.
authors: Waseem
authors: W
authors: Gul
authors: National Center for Natural Products Research, The University of Mississippi, University, MS 38677, USA.
authors: Ahmed
authors: A
authors: Galal
authors: El Sohly Laboratories Inc., 5 Industrial Park Drive, Oxford, MS 38655, USA; National Center for Natural Products Research, Department of Pharmaceutics, School of Pharmacy, The University of Mississippi, University, MS 38677, USA.
authors: Mahmoud A
authors: MA
authors: ElSohly
authors: School of Pharmacy, Notre Dame of Maryland University, 4701 North Charles Street, 21210, Baltimore, MD, USA.
authors: Paulo
authors: P
authors: Carvalho
keywords: crystal structure; hydrogen bonding; photooxygenation; Δ9–THC tosyl­ate