X - ray structure of desacetoxysolaphyllidine, a steroid alkaloid from solanum hypomalacophyllum bitter: (22R, 23S, 25R) -22, 26- epimino -3β, 23 -dihydroxy- 5α -cholestan- 4 -one- ammonium acetate (1/1), C27 H45 NO3.NH4+.C2H3O2-

Abstract

X - ray structure of desacetoxysolaphyllidine, a steroid alkaloid from solanum hypomalacophyllum bitter: (22R,

23S, 25R)-22,26-epimino-3β,23-dihydroxy-5α-cholestan-4-one-ammonium acetate (1/1), C27

H45 NO3.NH4+.C2H3O2- (Gómez Caraballo, Dora María; Rivera, Valentina; Rodulfo de Gil, Eldrys y Usubillaga, Alfredo)

Abstract

Mr = 508.75, orthoombic, P212121, a =31.862(8), b =12.434(4), c = 7.192(2) A, V = 2849 A3, Z = 4, Dm=1.184 (5), Dx =1.186 Mg m-3, λ(Mo Kα) = 0.71069 A, μ = 0.045mm-1, F(000) = 1120, T = 295K, R = 0.070 for 1538 unique reflection with I >3σ (I). The crystalline structure consists of discrete molecules in which rings A,B and C of the androstane moiety and the susbstitute piperidine ring have chair conformations. The androstane ring D has the envelope conformation at C(13), with C(14), C(15), C(16) and C(17) approximately on the same plane. Hydrogen bonds are formed involving the susbstituted piperidine rings, the ammonium ions the acetate ions.

Artículo publicado en: Revista Acta Cryst (1985).