(1R,4S,8R,9R,12S,13S,14R,16S,17R,19R)-17-[(Ethyl­sulfan­yl)meth­yl]-9,14-di­hydroxy-7,7-dimethyl-2,18-dioxo-3,10-dioxapenta­cyclo[14.2.1.0(1,13).0(4,12).0(8,12)]nona­decan-19-yl acetate acetone solvate

The title compound, C(24)H(32)O(8)S·C(3)H(6)O, features three six-membered and two five-membered rings. The six-membered rings adopt chair, boat and slightly distorted boat conformations whereas one five-membered ring adopts an approximate envelope conformation and the other a twist conformation. Di...

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Detalles Bibliográficos
Autores principales: Shi, Hao, Sun, Hong Xiang
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968108/
https://www.ncbi.nlm.nih.gov/pubmed/21581657
http://dx.doi.org/10.1107/S1600536808043341
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author Shi, Hao
Sun, Hong Xiang
author_facet Shi, Hao
Sun, Hong Xiang
author_sort Shi, Hao
collection PubMed
description The title compound, C(24)H(32)O(8)S·C(3)H(6)O, features three six-membered and two five-membered rings. The six-membered rings adopt chair, boat and slightly distorted boat conformations whereas one five-membered ring adopts an approximate envelope conformation and the other a twist conformation. Disorder was modelled for the ethyl­thio group with the ethyl-C atoms resolved over three positions with occupancies of 0.58 (4), 0.23 (4) and 0.19 (3). In the crystal, an O—H⋯O hydrogen bond links the molecules into chains.
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spelling pubmed-29681082010-12-30 (1R,4S,8R,9R,12S,13S,14R,16S,17R,19R)-17-[(Ethyl­sulfan­yl)meth­yl]-9,14-di­hydroxy-7,7-dimethyl-2,18-dioxo-3,10-dioxapenta­cyclo[14.2.1.0(1,13).0(4,12).0(8,12)]nona­decan-19-yl acetate acetone solvate Shi, Hao Sun, Hong Xiang Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(24)H(32)O(8)S·C(3)H(6)O, features three six-membered and two five-membered rings. The six-membered rings adopt chair, boat and slightly distorted boat conformations whereas one five-membered ring adopts an approximate envelope conformation and the other a twist conformation. Disorder was modelled for the ethyl­thio group with the ethyl-C atoms resolved over three positions with occupancies of 0.58 (4), 0.23 (4) and 0.19 (3). In the crystal, an O—H⋯O hydrogen bond links the molecules into chains. International Union of Crystallography 2008-12-24 /pmc/articles/PMC2968108/ /pubmed/21581657 http://dx.doi.org/10.1107/S1600536808043341 Text en © Shi and Sun 2009 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
Shi, Hao
Sun, Hong Xiang
(1R,4S,8R,9R,12S,13S,14R,16S,17R,19R)-17-[(Ethyl­sulfan­yl)meth­yl]-9,14-di­hydroxy-7,7-dimethyl-2,18-dioxo-3,10-dioxapenta­cyclo[14.2.1.0(1,13).0(4,12).0(8,12)]nona­decan-19-yl acetate acetone solvate
title (1R,4S,8R,9R,12S,13S,14R,16S,17R,19R)-17-[(Ethyl­sulfan­yl)meth­yl]-9,14-di­hydroxy-7,7-dimethyl-2,18-dioxo-3,10-dioxapenta­cyclo[14.2.1.0(1,13).0(4,12).0(8,12)]nona­decan-19-yl acetate acetone solvate
title_full (1R,4S,8R,9R,12S,13S,14R,16S,17R,19R)-17-[(Ethyl­sulfan­yl)meth­yl]-9,14-di­hydroxy-7,7-dimethyl-2,18-dioxo-3,10-dioxapenta­cyclo[14.2.1.0(1,13).0(4,12).0(8,12)]nona­decan-19-yl acetate acetone solvate
title_fullStr (1R,4S,8R,9R,12S,13S,14R,16S,17R,19R)-17-[(Ethyl­sulfan­yl)meth­yl]-9,14-di­hydroxy-7,7-dimethyl-2,18-dioxo-3,10-dioxapenta­cyclo[14.2.1.0(1,13).0(4,12).0(8,12)]nona­decan-19-yl acetate acetone solvate
title_full_unstemmed (1R,4S,8R,9R,12S,13S,14R,16S,17R,19R)-17-[(Ethyl­sulfan­yl)meth­yl]-9,14-di­hydroxy-7,7-dimethyl-2,18-dioxo-3,10-dioxapenta­cyclo[14.2.1.0(1,13).0(4,12).0(8,12)]nona­decan-19-yl acetate acetone solvate
title_short (1R,4S,8R,9R,12S,13S,14R,16S,17R,19R)-17-[(Ethyl­sulfan­yl)meth­yl]-9,14-di­hydroxy-7,7-dimethyl-2,18-dioxo-3,10-dioxapenta­cyclo[14.2.1.0(1,13).0(4,12).0(8,12)]nona­decan-19-yl acetate acetone solvate
title_sort (1r,4s,8r,9r,12s,13s,14r,16s,17r,19r)-17-[(ethyl­sulfan­yl)meth­yl]-9,14-di­hydroxy-7,7-dimethyl-2,18-dioxo-3,10-dioxapenta­cyclo[14.2.1.0(1,13).0(4,12).0(8,12)]nona­decan-19-yl acetate acetone solvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968108/
https://www.ncbi.nlm.nih.gov/pubmed/21581657
http://dx.doi.org/10.1107/S1600536808043341
work_keys_str_mv AT shihao 1r4s8r9r12s13s14r16s17r19r17ethylsulfanylmethyl914dihydroxy77dimethyl218dioxo310dioxapentacyclo1421011304120812nonadecan19ylacetateacetonesolvate
AT sunhongxiang 1r4s8r9r12s13s14r16s17r19r17ethylsulfanylmethyl914dihydroxy77dimethyl218dioxo310dioxapentacyclo1421011304120812nonadecan19ylacetateacetonesolvate

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