ABSTRACT
The conformation of the crystal of 17beta-ethoxy-3-methoxy-8-isoestra-1,3,5(10)-triene, C(21)H(30)O(2), (I), has been established and compared with the molecular structure of a typical steroid estrogen 8-iso-analogue, (II). Calculations of distances separating some of the H-atom pairs in (I) and (II) by molecular-mechanical and semi-empirical methods revealed the similarity of the values to the H.H distances obtained from X-ray analysis.
ABSTRACT
The Birch reduction of 3-methoxy-B-nor-8-isoestra-1,3,5(10)-trienes followed by acid hydrolysis produces steroid androgen 19,B-dinor-8,10-iso-analogues. By means of X-ray analysis and correlation NMR spectroscopy of 16,16-dimethyl-D-homo-19,B-dinor-8-isotestosterone, C(20)H(30)O(2), it is demonstrated that the main conformations in the crystal and in solution for two 19,B-dinor-8,10-iso-analogues are, in general, the same.
