THEORETICAL ORGANIC GEOCHEMISTRY .3. RELATIVE STABILITIES OF SEDIMENTARY REARRANGED STERENES AS CALCULATED BY MOLECULAR MECHANICS - A KEY TO UNRAVEL FURTHER STEROID DIAGENESIS

Authors
DELEEUW JW COX HC BAAS M PEAKMAN TM VANDEGRAAF B BAAS JMA
Citation
Jw. Deleeuw et al., THEORETICAL ORGANIC GEOCHEMISTRY .3. RELATIVE STABILITIES OF SEDIMENTARY REARRANGED STERENES AS CALCULATED BY MOLECULAR MECHANICS - A KEY TO UNRAVEL FURTHER STEROID DIAGENESIS, Organic geochemistry, 20(8), 1993, pp. 1297-1302
Citations number
14
Categorie Soggetti
Geosciences, Interdisciplinary
Journal title
Organic geochemistry → ACNP
ISSN journal
01466380
Volume
20
Issue
8
Year of publication
1993
Pages
1297 - 1302
Database
ISI
SICI code
0146-6380(1993)20:8<1297:TOG.RS>2.0.ZU;2-M
Abstract
Molecular mechanics calculations of rearranged cholestenes revealed th at diacholest-13(17)-enes with 10alpha stereochemistry are more stable than their 10beta counterparts and that a partly rearranged sterene w ith a DELTA8 double bond and 10beta, 14beta stereochemistry (compound 7) is relatively stable at thermodynamic equilibrium. The calculated d ata are in good agreement with sedimentary and experimental data and t hus reinforce recent propositions for early-stage diagenesis of steroi ds.