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5α,6α-Epoxy-7-norcholestan-3β-yl acetate
The title cholestan, C(28)H(46)O(3), was prepared by epoxidation of 7-norcholest-5-en-3β-yl acetate and crystallized by slow evaporation from an ethanolic solution. All rings are trans fused. The 3β-acetate and the 17β-cholestane side chain are in equatorial positions. The molecule is highly twist...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2011
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254568/ https://www.ncbi.nlm.nih.gov/pubmed/22259518 http://dx.doi.org/10.1107/S1600536811054249 |
| _version_ | 1782220883680559104 |
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| author | Andrade, L. C. R. Paixão, J. A. de Almeida, M. J. M. Carvalho, J. F. S. Cruz Silva, M. M. |
| author_facet | Andrade, L. C. R. Paixão, J. A. de Almeida, M. J. M. Carvalho, J. F. S. Cruz Silva, M. M. |
| author_sort | Andrade, L. C. R. |
| collection | PubMed |
| description | The title cholestan, C(28)H(46)O(3), was prepared by epoxidation of 7-norcholest-5-en-3β-yl acetate and crystallized by slow evaporation from an ethanolic solution. All rings are trans fused. The 3β-acetate and the 17β-cholestane side chain are in equatorial positions. The molecule is highly twisted due to its B-nor characteristic. A quantum chemical ab-initio Roothaan Hartree–Fock calculation of the equilibrium geometry of the isolated molecule gives values for bond lengths and valency angles in close agreement with the experimental ones. |
| format | Online Article Text |
| id | pubmed-3254568 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2011 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-32545682012-01-18 5α,6α-Epoxy-7-norcholestan-3β-yl acetate Andrade, L. C. R. Paixão, J. A. de Almeida, M. J. M. Carvalho, J. F. S. Cruz Silva, M. M. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title cholestan, C(28)H(46)O(3), was prepared by epoxidation of 7-norcholest-5-en-3β-yl acetate and crystallized by slow evaporation from an ethanolic solution. All rings are trans fused. The 3β-acetate and the 17β-cholestane side chain are in equatorial positions. The molecule is highly twisted due to its B-nor characteristic. A quantum chemical ab-initio Roothaan Hartree–Fock calculation of the equilibrium geometry of the isolated molecule gives values for bond lengths and valency angles in close agreement with the experimental ones. International Union of Crystallography 2011-12-23 /pmc/articles/PMC3254568/ /pubmed/22259518 http://dx.doi.org/10.1107/S1600536811054249 Text en © Andrade et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
| spellingShingle | Organic Papers Andrade, L. C. R. Paixão, J. A. de Almeida, M. J. M. Carvalho, J. F. S. Cruz Silva, M. M. 5α,6α-Epoxy-7-norcholestan-3β-yl acetate |
| title | 5α,6α-Epoxy-7-norcholestan-3β-yl acetate |
| title_full | 5α,6α-Epoxy-7-norcholestan-3β-yl acetate |
| title_fullStr | 5α,6α-Epoxy-7-norcholestan-3β-yl acetate |
| title_full_unstemmed | 5α,6α-Epoxy-7-norcholestan-3β-yl acetate |
| title_short | 5α,6α-Epoxy-7-norcholestan-3β-yl acetate |
| title_sort | 5α,6α-epoxy-7-norcholestan-3β-yl acetate |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254568/ https://www.ncbi.nlm.nih.gov/pubmed/22259518 http://dx.doi.org/10.1107/S1600536811054249 |
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