Crystal structure of (1R,3aR,7aR)-1-{(S)-1-[(2R,5S)-5-(3-hy­droxy­pentan-3-yl)tetra­hydro­furan-2-yl]eth­yl}-7a-methyl-2,3,3a,4,5,6,7,7a-octa­hydro-1H-inden-4-one

The title compound, C(21)H(36)O(3), contains an oxolane ring, and six defined stereocentres and may serve as a useful synthon for the synthesis of calcitriol analogues. The configurations of the chiral C atoms of the side chain were unambiguously established in the refinement. In the crystal, C—H⋯O...

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Autores principales: Martínez, Andrea, Santalla, Hugo, Garrido, Fátima, Barry, Aliou Hamady, Gaye, Mohamed, Fall Diop, Yagamare
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5290546/
https://www.ncbi.nlm.nih.gov/pubmed/28217323
http://dx.doi.org/10.1107/S2056989016020648
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author Martínez, Andrea
Santalla, Hugo
Garrido, Fátima
Barry, Aliou Hamady
Gaye, Mohamed
Fall Diop, Yagamare
author_facet Martínez, Andrea
Santalla, Hugo
Garrido, Fátima
Barry, Aliou Hamady
Gaye, Mohamed
Fall Diop, Yagamare
author_sort Martínez, Andrea
collection PubMed
description The title compound, C(21)H(36)O(3), contains an oxolane ring, and six defined stereocentres and may serve as a useful synthon for the synthesis of calcitriol analogues. The configurations of the chiral C atoms of the side chain were unambiguously established in the refinement. In the crystal, C—H⋯O and extremely weak O—H⋯O hydrogen bonds arising from the sterically hindered alcohol group link the mol­ecules into a three-dimensional network.
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spelling pubmed-52905462017-02-17 Crystal structure of (1R,3aR,7aR)-1-{(S)-1-[(2R,5S)-5-(3-hy­droxy­pentan-3-yl)tetra­hydro­furan-2-yl]eth­yl}-7a-methyl-2,3,3a,4,5,6,7,7a-octa­hydro-1H-inden-4-one Martínez, Andrea Santalla, Hugo Garrido, Fátima Barry, Aliou Hamady Gaye, Mohamed Fall Diop, Yagamare Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(21)H(36)O(3), contains an oxolane ring, and six defined stereocentres and may serve as a useful synthon for the synthesis of calcitriol analogues. The configurations of the chiral C atoms of the side chain were unambiguously established in the refinement. In the crystal, C—H⋯O and extremely weak O—H⋯O hydrogen bonds arising from the sterically hindered alcohol group link the mol­ecules into a three-dimensional network. International Union of Crystallography 2017-01-06 /pmc/articles/PMC5290546/ /pubmed/28217323 http://dx.doi.org/10.1107/S2056989016020648 Text en © Martínez et al. 2017 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
Martínez, Andrea
Santalla, Hugo
Garrido, Fátima
Barry, Aliou Hamady
Gaye, Mohamed
Fall Diop, Yagamare
Crystal structure of (1R,3aR,7aR)-1-{(S)-1-[(2R,5S)-5-(3-hy­droxy­pentan-3-yl)tetra­hydro­furan-2-yl]eth­yl}-7a-methyl-2,3,3a,4,5,6,7,7a-octa­hydro-1H-inden-4-one
title Crystal structure of (1R,3aR,7aR)-1-{(S)-1-[(2R,5S)-5-(3-hy­droxy­pentan-3-yl)tetra­hydro­furan-2-yl]eth­yl}-7a-methyl-2,3,3a,4,5,6,7,7a-octa­hydro-1H-inden-4-one
title_full Crystal structure of (1R,3aR,7aR)-1-{(S)-1-[(2R,5S)-5-(3-hy­droxy­pentan-3-yl)tetra­hydro­furan-2-yl]eth­yl}-7a-methyl-2,3,3a,4,5,6,7,7a-octa­hydro-1H-inden-4-one
title_fullStr Crystal structure of (1R,3aR,7aR)-1-{(S)-1-[(2R,5S)-5-(3-hy­droxy­pentan-3-yl)tetra­hydro­furan-2-yl]eth­yl}-7a-methyl-2,3,3a,4,5,6,7,7a-octa­hydro-1H-inden-4-one
title_full_unstemmed Crystal structure of (1R,3aR,7aR)-1-{(S)-1-[(2R,5S)-5-(3-hy­droxy­pentan-3-yl)tetra­hydro­furan-2-yl]eth­yl}-7a-methyl-2,3,3a,4,5,6,7,7a-octa­hydro-1H-inden-4-one
title_short Crystal structure of (1R,3aR,7aR)-1-{(S)-1-[(2R,5S)-5-(3-hy­droxy­pentan-3-yl)tetra­hydro­furan-2-yl]eth­yl}-7a-methyl-2,3,3a,4,5,6,7,7a-octa­hydro-1H-inden-4-one
title_sort crystal structure of (1r,3ar,7ar)-1-{(s)-1-[(2r,5s)-5-(3-hy­droxy­pentan-3-yl)tetra­hydro­furan-2-yl]eth­yl}-7a-methyl-2,3,3a,4,5,6,7,7a-octa­hydro-1h-inden-4-one
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5290546/
https://www.ncbi.nlm.nih.gov/pubmed/28217323
http://dx.doi.org/10.1107/S2056989016020648
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