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Redetermination and absolute configuration of berkeleydione

The crystal structure of the title compound, berkeleydione [systematic name; (5aS,7R,9S,11R,11aS)-methyl 9-hy­droxy-1,1,5,7,9,11a-hexa­methyl-14-methyl­idene-3,8,10-trioxo-1,3,4,5a,6,7,8,9,10,11,11a,12-dodeca­hydro-7,11-methano­cycloocta­[4,5]cyclo­hepta­[1,2-c]pyran-11-carboxyl­ate], C(26)H(32)O(7)...

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Detalles Bibliográficos
Autores principales: Stierle, Andrea, Stierle, Donald, Decato, Daniel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4438833/
https://www.ncbi.nlm.nih.gov/pubmed/26029438
http://dx.doi.org/10.1107/S2056989015003965
Descripción
Sumario:The crystal structure of the title compound, berkeleydione [systematic name; (5aS,7R,9S,11R,11aS)-methyl 9-hy­droxy-1,1,5,7,9,11a-hexa­methyl-14-methyl­idene-3,8,10-trioxo-1,3,4,5a,6,7,8,9,10,11,11a,12-dodeca­hydro-7,11-methano­cycloocta­[4,5]cyclo­hepta­[1,2-c]pyran-11-carboxyl­ate], C(26)H(32)O(7), has been reported previously [Stierle et al. (2004 ▸). Org. Lett. 6, 1049–1052]. However, the absolute configuration could not be determined from the data collected with Mo Kα radiation and has now been determined by refinement of the Flack parameter with data collected using Cu Kα radiation. It is in agreement with the previous circular dichroism assignment, and the crystal packing is similar to that described previously.