Absolute structure of (3aS,5S,7aS,7bS,9aR,10R,12aR,12bS)-7b-hy-droxy-4,4,7a,9a,12a-penta-methyl-10-[(2'R)-6-methyl-heptan-2-yl]-2,8,9-trioxo-octa-deca-hydro-benzo[d]indeno-[4,5-b]azepin-5-yl acetate from 62-year-old crystals.

从62年前的晶体中得到的(3aS,5S,7aS,7bS,9aR,10R,12aR,12bS)-7b-羟基-4,4,7a,9a,12a-五甲基-10-[(2'R)-6-甲基庚烷-2-基]-2,8,9-三氧代-八-十-氢-苯并[d]茚并[4,5-b]氮杂卓-5-基乙酸酯的绝对结构

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作者:Suescun Leopoldo, Heinzen Horacio
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 mol-ecules pack in linear O-H⋯O hydrogen-bonded chains along the short axis (b), while parallel chains display weak van der Waals inter-actions that explain the needle-shaped crystal morphology. The structure exhibits disorder of the flexible methyl-heptane chain at one end of the main mol-ecule 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.

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