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Crystal structure of (4bS,8aR)-1-isopropyl-4b,8,8-trimethyl-7-oxo-4b,7,8,8a,9,10-hexahydrophenanthren-2-yl acetate
The title compound, C(22)H(28)O(3), was prepared by a direct acetylation reaction of naturally occurring totarolenone. The molecule contains three fused rings, which exhibit different conformations. The central ring has a half-chair conformation, while the non-aromatic oxo-substituted ring has a s...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947497/ https://www.ncbi.nlm.nih.gov/pubmed/29850101 http://dx.doi.org/10.1107/S2056989018005510 |
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author | Laamari, Yassine Ait Itto, Moulay Youssef Riahi, Abdelkhalek Chevreux, Sylviane Auhmani, Aziz Ketatni, El Mostafa |
author_facet | Laamari, Yassine Ait Itto, Moulay Youssef Riahi, Abdelkhalek Chevreux, Sylviane Auhmani, Aziz Ketatni, El Mostafa |
author_sort | Laamari, Yassine |
collection | PubMed |
description | The title compound, C(22)H(28)O(3), was prepared by a direct acetylation reaction of naturally occurring totarolenone. The molecule contains three fused rings, which exhibit different conformations. The central ring has a half-chair conformation, while the non-aromatic oxo-substituted ring has a screw-boat conformation. In the crystal, molecules are linked by C—H⋯O hydrogen bonds and C—H⋯π interactions, forming sheets parallel to the bc plane. The carbonyl O atoms and the C atom at the 6-position of the cyclohexene ring are each disordered over two sets of sites with major occupancy components of 0.63 (7) and 0.793 (14), respectively. |
format | Online Article Text |
id | pubmed-5947497 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-59474972018-05-30 Crystal structure of (4bS,8aR)-1-isopropyl-4b,8,8-trimethyl-7-oxo-4b,7,8,8a,9,10-hexahydrophenanthren-2-yl acetate Laamari, Yassine Ait Itto, Moulay Youssef Riahi, Abdelkhalek Chevreux, Sylviane Auhmani, Aziz Ketatni, El Mostafa Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(22)H(28)O(3), was prepared by a direct acetylation reaction of naturally occurring totarolenone. The molecule contains three fused rings, which exhibit different conformations. The central ring has a half-chair conformation, while the non-aromatic oxo-substituted ring has a screw-boat conformation. In the crystal, molecules are linked by C—H⋯O hydrogen bonds and C—H⋯π interactions, forming sheets parallel to the bc plane. The carbonyl O atoms and the C atom at the 6-position of the cyclohexene ring are each disordered over two sets of sites with major occupancy components of 0.63 (7) and 0.793 (14), respectively. International Union of Crystallography 2018-04-27 /pmc/articles/PMC5947497/ /pubmed/29850101 http://dx.doi.org/10.1107/S2056989018005510 Text en © Laamari et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Laamari, Yassine Ait Itto, Moulay Youssef Riahi, Abdelkhalek Chevreux, Sylviane Auhmani, Aziz Ketatni, El Mostafa Crystal structure of (4bS,8aR)-1-isopropyl-4b,8,8-trimethyl-7-oxo-4b,7,8,8a,9,10-hexahydrophenanthren-2-yl acetate |
title | Crystal structure of (4bS,8aR)-1-isopropyl-4b,8,8-trimethyl-7-oxo-4b,7,8,8a,9,10-hexahydrophenanthren-2-yl acetate |
title_full | Crystal structure of (4bS,8aR)-1-isopropyl-4b,8,8-trimethyl-7-oxo-4b,7,8,8a,9,10-hexahydrophenanthren-2-yl acetate |
title_fullStr | Crystal structure of (4bS,8aR)-1-isopropyl-4b,8,8-trimethyl-7-oxo-4b,7,8,8a,9,10-hexahydrophenanthren-2-yl acetate |
title_full_unstemmed | Crystal structure of (4bS,8aR)-1-isopropyl-4b,8,8-trimethyl-7-oxo-4b,7,8,8a,9,10-hexahydrophenanthren-2-yl acetate |
title_short | Crystal structure of (4bS,8aR)-1-isopropyl-4b,8,8-trimethyl-7-oxo-4b,7,8,8a,9,10-hexahydrophenanthren-2-yl acetate |
title_sort | crystal structure of (4bs,8ar)-1-isopropyl-4b,8,8-trimethyl-7-oxo-4b,7,8,8a,9,10-hexahydrophenanthren-2-yl acetate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947497/ https://www.ncbi.nlm.nih.gov/pubmed/29850101 http://dx.doi.org/10.1107/S2056989018005510 |
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