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Absolute structure of (3aS,5S,7aS,7bS,9aR,10R,12aR,12bS)-7b-hy­droxy-4,4,7a,9a,12a-penta­methyl-10-[(2′R)-6-methyl­heptan-2-yl]-2,8,9-trioxo­octa­deca­hydro­benzo[d]indeno­[4,5-b]azepin-5-yl acetate from 62-year-old crystals

The structure of the title compound, C(32)H(51)NO(6), was determined from 62-year-old crystals at room temperature and refined with 100 K data in a monoclinic (C2) space group. This compound with a triterpenoid structure, now confirmed by this study, played an important role in the determination of...

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Detalles Bibliográficos
Autores principales: Suescun, Leopoldo, Heinzen, Horacio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6727055/
https://www.ncbi.nlm.nih.gov/pubmed/31523464
http://dx.doi.org/10.1107/S205698901901140X
Descripción
Sumario:The structure of the title compound, C(32)H(51)NO(6), was determined from 62-year-old crystals at room temperature and refined with 100 K data in a monoclinic (C2) space group. This compound with a triterpenoid structure, now confirmed by this study, played an important role in the determination of the structure of lanosterol. The mol­ecules pack in linear O—H⋯O hydrogen-bonded chains along the short axis (b), while parallel chains display weak van der Waals inter­actions that explain the needle-shaped crystal morphology. The structure exhibits disorder of the flexible methyl­heptane chain at one end of the main mol­ecule with a small void around it. Crystals of the compounds were resistant to data collection for decades with the available cameras and Mo Kα radiation single-crystal diffractometer in our laboratory until a new instrument with Cu Kα radiation operating at 100 K allowed the structure to be solved and refined.