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(25R)-16β-Acetoxy-3β-bromo-23′,26-epoxy-23′,25-dimethyl-5α-cholest-23,23′-en-6-one dichloromethane monosolvate
The crystal structure of the title compound, C(31)H(45)BrO(5)·CH(2)Cl(2), prepared in six steps from diosgenin, confirmed that the configurations of the stereogenic centers, positions 20S and 25R, remain unchanged during the reaction. The six-membered A, B and C rings have chair conformations. The f...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588813/ https://www.ncbi.nlm.nih.gov/pubmed/23468778 http://dx.doi.org/10.1107/S1600536812043590 |
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author | Rincón, Susana Yépez, Rebeca Ochoa, M. Eugenia López, Yliana Santillan, Rosa Farfán, Norberto |
author_facet | Rincón, Susana Yépez, Rebeca Ochoa, M. Eugenia López, Yliana Santillan, Rosa Farfán, Norberto |
author_sort | Rincón, Susana |
collection | PubMed |
description | The crystal structure of the title compound, C(31)H(45)BrO(5)·CH(2)Cl(2), prepared in six steps from diosgenin, confirmed that the configurations of the stereogenic centers, positions 20S and 25R, remain unchanged during the reaction. The six-membered A, B and C rings have chair conformations. The five-membered ring D has an envelope conformation (with the methyl-substituted C atom fused to ring C as the flap) and the six-membered dihydropyran ring E adopts a twist-boat conformation. In the crystal, molecules are linked via C—H⋯O and C—H⋯Cl hydrogen bonds, the latter involving the dichloromethane solvent molecule, forming a three-dimensional supramolecular network. |
format | Online Article Text |
id | pubmed-3588813 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35888132013-03-06 (25R)-16β-Acetoxy-3β-bromo-23′,26-epoxy-23′,25-dimethyl-5α-cholest-23,23′-en-6-one dichloromethane monosolvate Rincón, Susana Yépez, Rebeca Ochoa, M. Eugenia López, Yliana Santillan, Rosa Farfán, Norberto Acta Crystallogr Sect E Struct Rep Online Organic Papers The crystal structure of the title compound, C(31)H(45)BrO(5)·CH(2)Cl(2), prepared in six steps from diosgenin, confirmed that the configurations of the stereogenic centers, positions 20S and 25R, remain unchanged during the reaction. The six-membered A, B and C rings have chair conformations. The five-membered ring D has an envelope conformation (with the methyl-substituted C atom fused to ring C as the flap) and the six-membered dihydropyran ring E adopts a twist-boat conformation. In the crystal, molecules are linked via C—H⋯O and C—H⋯Cl hydrogen bonds, the latter involving the dichloromethane solvent molecule, forming a three-dimensional supramolecular network. International Union of Crystallography 2012-11-03 /pmc/articles/PMC3588813/ /pubmed/23468778 http://dx.doi.org/10.1107/S1600536812043590 Text en © Rincón 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 Rincón, Susana Yépez, Rebeca Ochoa, M. Eugenia López, Yliana Santillan, Rosa Farfán, Norberto (25R)-16β-Acetoxy-3β-bromo-23′,26-epoxy-23′,25-dimethyl-5α-cholest-23,23′-en-6-one dichloromethane monosolvate |
title | (25R)-16β-Acetoxy-3β-bromo-23′,26-epoxy-23′,25-dimethyl-5α-cholest-23,23′-en-6-one dichloromethane monosolvate |
title_full | (25R)-16β-Acetoxy-3β-bromo-23′,26-epoxy-23′,25-dimethyl-5α-cholest-23,23′-en-6-one dichloromethane monosolvate |
title_fullStr | (25R)-16β-Acetoxy-3β-bromo-23′,26-epoxy-23′,25-dimethyl-5α-cholest-23,23′-en-6-one dichloromethane monosolvate |
title_full_unstemmed | (25R)-16β-Acetoxy-3β-bromo-23′,26-epoxy-23′,25-dimethyl-5α-cholest-23,23′-en-6-one dichloromethane monosolvate |
title_short | (25R)-16β-Acetoxy-3β-bromo-23′,26-epoxy-23′,25-dimethyl-5α-cholest-23,23′-en-6-one dichloromethane monosolvate |
title_sort | (25r)-16β-acetoxy-3β-bromo-23′,26-epoxy-23′,25-dimethyl-5α-cholest-23,23′-en-6-one dichloromethane monosolvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588813/ https://www.ncbi.nlm.nih.gov/pubmed/23468778 http://dx.doi.org/10.1107/S1600536812043590 |
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