17beta-Ethoxy-3-methoxy-8-isoestra-1,3,5(10)-triene.
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.
Starova
Galina Leonidovna
GL
Saint Petersburg State University, Department of Chemistry, Universitetskii Prospekt 26, 198504 Saint Petersburg, Russia.
Egorov
Maxim Sergeevitch
MS
Vasiljeva
Evgenija Sergeevna
ES
Shavva
Alexandr Grigorievitch
AG