(20S)-20-Acetamido-18-chloro-5α-pregnan-3β-yl acetate

In the title compound, C(25)H(40)ClNO(3), prepared by the thermolysis of (20S)-O,N-diacetyl-20-amino-N-chloro-3β-hydr­oxy-5α-pregnane, the three six-membered rings adopt chair conformations while the five-membered ring is in an envelope conformation. The ester group attached to ring A is in an equat...

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Detalles Bibliográficos
Autores principales: Benn, Michael, Vohra, Kanwal Nain, Parvez, Masood
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983833/
https://www.ncbi.nlm.nih.gov/pubmed/21580743
http://dx.doi.org/10.1107/S1600536810008883
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author Benn, Michael
Vohra, Kanwal Nain
Parvez, Masood
author_facet Benn, Michael
Vohra, Kanwal Nain
Parvez, Masood
author_sort Benn, Michael
collection PubMed
description In the title compound, C(25)H(40)ClNO(3), prepared by the thermolysis of (20S)-O,N-diacetyl-20-amino-N-chloro-3β-hydr­oxy-5α-pregnane, the three six-membered rings adopt chair conformations while the five-membered ring is in an envelope conformation. The ester group attached to ring A is in an equatorial position. All the rings are trans-fused. Intra­molecular C—H⋯O and C—H⋯Cl inter­actions occur. The crystal structure is stabilized by inter­molecular N—H⋯O and C—H⋯O inter­actions close contacts occur.
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spelling pubmed-29838332010-12-30 (20S)-20-Acetamido-18-chloro-5α-pregnan-3β-yl acetate Benn, Michael Vohra, Kanwal Nain Parvez, Masood Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(25)H(40)ClNO(3), prepared by the thermolysis of (20S)-O,N-diacetyl-20-amino-N-chloro-3β-hydr­oxy-5α-pregnane, the three six-membered rings adopt chair conformations while the five-membered ring is in an envelope conformation. The ester group attached to ring A is in an equatorial position. All the rings are trans-fused. Intra­molecular C—H⋯O and C—H⋯Cl inter­actions occur. The crystal structure is stabilized by inter­molecular N—H⋯O and C—H⋯O inter­actions close contacts occur. International Union of Crystallography 2010-03-27 /pmc/articles/PMC2983833/ /pubmed/21580743 http://dx.doi.org/10.1107/S1600536810008883 Text en © Benn et al. 2010 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
Benn, Michael
Vohra, Kanwal Nain
Parvez, Masood
(20S)-20-Acetamido-18-chloro-5α-pregnan-3β-yl acetate
title (20S)-20-Acetamido-18-chloro-5α-pregnan-3β-yl acetate
title_full (20S)-20-Acetamido-18-chloro-5α-pregnan-3β-yl acetate
title_fullStr (20S)-20-Acetamido-18-chloro-5α-pregnan-3β-yl acetate
title_full_unstemmed (20S)-20-Acetamido-18-chloro-5α-pregnan-3β-yl acetate
title_short (20S)-20-Acetamido-18-chloro-5α-pregnan-3β-yl acetate
title_sort (20s)-20-acetamido-18-chloro-5α-pregnan-3β-yl acetate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983833/
https://www.ncbi.nlm.nih.gov/pubmed/21580743
http://dx.doi.org/10.1107/S1600536810008883
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AT vohrakanwalnain 20s20acetamido18chloro5apregnan3bylacetate
AT parvezmasood 20s20acetamido18chloro5apregnan3bylacetate

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