16 alpha-Bromo-17 beta-hydroxy-5 alpha-androstan-3 beta-yl acetate

作者:Shi, Rui; Zhang, Chun-Sheng; Wei, Kun*
来源:Acta Crystallographica Section E-Structure Reports Online, 2010, 66: O750-U1638.
DOI:10.1107/S1600536810007555

摘要

The title compound, C(21)H(33)BrO(3), an intermediate in the synthesis of the neuromuscular blocking agent rocuronium bromide, contains two independent molecules in the asymmetric unit, which have almost identical geometries: in both molecules, the steroidal rings A, B and C have slightly flattened chair conformations and ring D assumes a half-chair conformation. In the crystal, O-H center dot center dot center dot O hydrogen bonds and weak C-H center dot center dot center dot O and C-H center dot center dot center dot Br interactions help to establish the packing.

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