16-(4-Isopropylbenzylidene)androst-4-ene-3,17-dione

Abstract

In the title compound, C(29)H(36)O(2), the outer cyclohexene ring of the steroid nucleus has a conformation that lies about half-way between a half-chair and an envelope, while the central and outer cyclohexane rings of the steroid nucleus have slightly distorted chair conformations. The steroidal cyclopentane ring adopts a 13beta,14alpha-half-chair conformation. The benzylidene moiety has an E configuration with respect to the carbonyl group on the cyclopentane ring. The dihedral angle between the mean planes of the steroid nucleus and the benzylidene moiety is 35.54 (9) degrees. The packing of the molecules is assumed to be dictated mainly by weak intermolecular C-H.O interactions.

Synthesis of Heterocyclic‐Substituted Novel Hydroxysteroids with Regioselective and Stereoselective Reactions

“…The heteroaryl moiety of the exocyclic double‐bond system has an E configuration relative to the carbonyl group on the cyclopentane ring. The configuration at C‐16 is assigned E configuration with respect to the keto group at C‐17 in analogy with earlier reports .…”

Transferred multipolar atom model for 10β,17β-dihydroxy-17α-methylestr-4-en-3-one dihydrate obtained from the biotransformation of methyloestrenolone

“…the normal range for similar structures (Galdecki et al, 1990;Vasuki et al, 2002;Thamotharan et al, 2004;Shen et al, 2011).…”

11α,15α-Dihydroxyandrost-4-ene-3,17-dione

“…For related structures, see: Galdecki et al (1990); Thamotharan et al (2004); Vasuki et al (2002). For details of biotransformation, see: Ahmad et al (1992); Kollerov et al (2008); Malaviya & Gomes (2008); Perez et al (2006).…”