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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...

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Autores principales: Laamari, Yassine, Ait Itto, Moulay Youssef, Riahi, Abdelkhalek, Chevreux, Sylviane, Auhmani, Aziz, Ketatni, El Mostafa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
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.
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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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