Abstract
The title steroid, C29H46O4, is a furostene derivative with a C=C double-bond length of 1.353 (3) Å and an E configuration. The side chain is oriented toward the α face of the A–E steroidal nucleus and presents a disordered terminal CH2—OH group [occupancies for resolved sites are 0.591 (9) and 0.409 (9)]. The methyl group at C20 attached to ring E is also oriented toward the α face, avoiding steric hindrance with the carbonyl O atom of the acetyl group. The furostene and acetyl functionalities form an α,β-unsaturated ketone system, with an s-cis configuration. All hydroxy and carbonyl groups are involved in weak intermolecular hydrogen bonds. The absolute configuration was assigned from the synthesis.
Highlights
The title steroid, C29H46O4, is a furostene derivative with a C C double-bond length of 1.353 (3) Aand an E configuration
All hydroxy and carbonyl groups are involved in weak intermolecular hydrogen bonds
The diacetate of the title compound has been characterized by X-ray crystallography (Sandoval-Ramırez et al, 2003), as well as a related furost-22-ene derivate with the C20 site substituted by a methyl group and an acetyl group (Meza-Reyes et al, 2004)
Summary
Marıa-Guadalupe Hernandez Linares,a Jesus Sandoval Ramırez,b Socorro Meza Reyes,b Sara Montiel Smithb and Sylvain Bernesc*. Key indicators: single-crystal X-ray study; T = 296 K, P = 101 kPa; mean (C–C) = 0.004 A; disorder in main residue; R factor = 0.038; wR factor = 0.097; data-toparameter ratio = 7.9. The title steroid, C29H46O4, is a furostene derivative with a C C double-bond length of 1.353 (3) Aand an E configuration. The side chain is oriented toward the face of the A–E steroidal nucleus and presents a disordered terminal CH2— OH group [occupancies for resolved sites are 0.591 (9) and 0.409 (9)]. The methyl group at C20 attached to ring E is oriented toward the face, avoiding steric hindrance with the carbonyl O atom of the acetyl group. The furostene and acetyl functionalities form an , -unsaturated ketone system, with an s-cis configuration. All hydroxy and carbonyl groups are involved in weak intermolecular hydrogen bonds. The absolute configuration was assigned from the synthesis
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