(10R,13R)-17-(6-Hydroxy-5-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol hemihydrate: a bioactive steroid isolated from the Indian herb Artemisia reticulata

Abstract

The title tetracyclic steroidal compound, C27H46O2·0.5H2O, crystallized as a monohydrate with two independent molecules (1 and 2) in the asymmetric unit. In both molecules, the conformations of the three cyclohexane rings (A, B and C) are chair, half-chair and chair, respectively. The fourth ring, D, has a twisted conformation on the bond linking the D and C rings. The crystal structure is stabilized by hydrogen bonding with the two independent molecules being linked through the solvent water molecule via various O—H...O hydrogen bonds, forming layers parallel to (-101).

Keywords

• crystal structure
• steroid
• A. reticulata
• antiproliferation activity
• hydrogen bonding