(2S,4aR,6aR,7R,9S,10aS,10bR)-7-Carb­oxy-2-(3-fur­yl)-6a,10b-dimethyl-4,10-dioxoperhydro­benzo[f]isochromen-9-yl acetate

The asymmetric unit of the title compound, C(22)H(26)O(8), contains two crystallographically independent mol­ecules with closely comparable conformations (r.m.s. overlay = 0.54 Å for 30 non-H atoms). All six-membered rings display chair conformations, with a slight distortion for the lactone ring. T...

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Detalles Bibliográficos
Autores principales: Carvalho, Paulo, Kutrzeba, Lukasz M., Zjawiony, Jordan K., Avery, Mitchell A.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968482/
https://www.ncbi.nlm.nih.gov/pubmed/21582142
http://dx.doi.org/10.1107/S1600536809002074
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author Carvalho, Paulo
Kutrzeba, Lukasz M.
Zjawiony, Jordan K.
Avery, Mitchell A.
author_facet Carvalho, Paulo
Kutrzeba, Lukasz M.
Zjawiony, Jordan K.
Avery, Mitchell A.
author_sort Carvalho, Paulo
collection PubMed
description The asymmetric unit of the title compound, C(22)H(26)O(8), contains two crystallographically independent mol­ecules with closely comparable conformations (r.m.s. overlay = 0.54 Å for 30 non-H atoms). All six-membered rings display chair conformations, with a slight distortion for the lactone ring. The mol­ecules are connected by O—H⋯O hydrogen bonds into chains along [010], with the independent mol­ecules segregated into separate chains. The two mol­ecules in the asymmetric unit face each other in a head-to-tail fashion, with the furan ring of one mol­ecule turned towards the carboxylic acid terminal of the other mol­ecule.
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spelling pubmed-29684822010-12-30 (2S,4aR,6aR,7R,9S,10aS,10bR)-7-Carb­oxy-2-(3-fur­yl)-6a,10b-dimethyl-4,10-dioxoperhydro­benzo[f]isochromen-9-yl acetate Carvalho, Paulo Kutrzeba, Lukasz M. Zjawiony, Jordan K. Avery, Mitchell A. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(22)H(26)O(8), contains two crystallographically independent mol­ecules with closely comparable conformations (r.m.s. overlay = 0.54 Å for 30 non-H atoms). All six-membered rings display chair conformations, with a slight distortion for the lactone ring. The mol­ecules are connected by O—H⋯O hydrogen bonds into chains along [010], with the independent mol­ecules segregated into separate chains. The two mol­ecules in the asymmetric unit face each other in a head-to-tail fashion, with the furan ring of one mol­ecule turned towards the carboxylic acid terminal of the other mol­ecule. International Union of Crystallography 2009-02-06 /pmc/articles/PMC2968482/ /pubmed/21582142 http://dx.doi.org/10.1107/S1600536809002074 Text en © Carvalho et al. 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
Carvalho, Paulo
Kutrzeba, Lukasz M.
Zjawiony, Jordan K.
Avery, Mitchell A.
(2S,4aR,6aR,7R,9S,10aS,10bR)-7-Carb­oxy-2-(3-fur­yl)-6a,10b-dimethyl-4,10-dioxoperhydro­benzo[f]isochromen-9-yl acetate
title (2S,4aR,6aR,7R,9S,10aS,10bR)-7-Carb­oxy-2-(3-fur­yl)-6a,10b-dimethyl-4,10-dioxoperhydro­benzo[f]isochromen-9-yl acetate
title_full (2S,4aR,6aR,7R,9S,10aS,10bR)-7-Carb­oxy-2-(3-fur­yl)-6a,10b-dimethyl-4,10-dioxoperhydro­benzo[f]isochromen-9-yl acetate
title_fullStr (2S,4aR,6aR,7R,9S,10aS,10bR)-7-Carb­oxy-2-(3-fur­yl)-6a,10b-dimethyl-4,10-dioxoperhydro­benzo[f]isochromen-9-yl acetate
title_full_unstemmed (2S,4aR,6aR,7R,9S,10aS,10bR)-7-Carb­oxy-2-(3-fur­yl)-6a,10b-dimethyl-4,10-dioxoperhydro­benzo[f]isochromen-9-yl acetate
title_short (2S,4aR,6aR,7R,9S,10aS,10bR)-7-Carb­oxy-2-(3-fur­yl)-6a,10b-dimethyl-4,10-dioxoperhydro­benzo[f]isochromen-9-yl acetate
title_sort (2s,4ar,6ar,7r,9s,10as,10br)-7-carb­oxy-2-(3-fur­yl)-6a,10b-dimethyl-4,10-dioxoperhydro­benzo[f]isochromen-9-yl acetate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968482/
https://www.ncbi.nlm.nih.gov/pubmed/21582142
http://dx.doi.org/10.1107/S1600536809002074
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