Positional and conformational dependence of long-range interactions in 3,16- and 3,17-androstanediones

Autor: Klasing, L., Pasa Tolić, Lj., Spiegl, H., Knop, J. V., McGlynn, S. P.
Zdroj: Journal of Mathematical Chemistry; December 1991, Vol. 8 Issue: 1 p179-184, 6p
Abstrakt: The 5a- and 5ß-conformations of androstane, androstan-3-one, androstan-16-one, androstan-17-one, androstane-3,16-dione and androstane-3,17-dione have been calculated by the SCF MNDO method, using full geometry optimization, in order to assess the dependence of long-range electronic interactions of the carbonyl groups on their location and on the conformation of the steroid ring system.
Databáze: Supplemental Index
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