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17beta-Ethoxy-3-methoxy-8-isoestra-1,3,5(10)-triene. 2003

Galina Leonidovna Starova, and Maxim Sergeevitch Egorov, and Evgenija Sergeevna Vasiljeva, and Alexandr Grigorievitch Shavva
Saint Petersburg State University, Department of Chemistry, Universitetskii Prospekt 26, 198504 Saint Petersburg, Russia.

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.

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