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Redetermination and absolute configuration of berkeleydione.

ABSTRACT: The crystal structure of the title compound, berkeleydione [systematic name; (5aS,7R,9S,11R,11aS)-methyl 9-hy-droxy-1,1,5,7,9,11a-hexa-methyl-14-methyl-idene-3,8,10-trioxo-1,3,4,5a,6,7,8,9,10,11,11a,12-dodeca-hydro-7,11-methano-cycloocta-[4,5]cyclo-hepta-[1,2-c]pyran-11-carboxyl-ate], C26H32O7, 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.

SUBMITTER: Stierle A

PROVIDER: S-EPMC4438833 | biostudies-literature | 2015 Apr

REPOSITORIES: biostudies-literature

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Redetermination and absolute configuration of berkeleydione.

Stierle Andrea A Stierle Donald D Decato Daniel D

Acta crystallographica. Section E, Crystallographic communications 20150321 Pt 4

The crystal structure of the title compound, berkeleydione [systematic name; (5aS,7R,9S,11R,11aS)-methyl 9-hy-droxy-1,1,5,7,9,11a-hexa-methyl-14-methyl-idene-3,8,10-trioxo-1,3,4,5a,6,7,8,9,10,11,11a,12-dodeca-hydro-7,11-methano-cycloocta-[4,5]cyclo-hepta-[1,2-c]pyran-11-carboxyl-ate], C26H32O7, 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 d ...[more]

PMID: 26029438

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