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(20S)-20-Acetamido-18-chloro-5?-pregnan-3?-yl acetate.

ABSTRACT: In the title compound, C(25)H(40)ClNO(3), prepared by the thermolysis of (20S)-O,N-diacetyl-20-amino-N-chloro-3?-hydr-oxy-5?-pregnane, the three six-membered rings adopt chair conformations while the five-membered ring is in an envelope conformation. The ester group attached to ring A is in an equatorial position. All the rings are trans-fused. Intra-molecular C-H?O and C-H?Cl inter-actions occur. The crystal structure is stabilized by inter-molecular N-H?O and C-H?O inter-actions close contacts occur.

SUBMITTER: Benn M

PROVIDER: S-EPMC2983833 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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(20S)-20-Acetamido-18-chloro-5α-pregnan-3β-yl acetate.

Benn Michael M Vohra Kanwal Nain KN Parvez Masood M

Acta crystallographica. Section E, Structure reports online 20100327 Pt 4

In the title compound, C(25)H(40)ClNO(3), prepared by the thermolysis of (20S)-O,N-diacetyl-20-amino-N-chloro-3β-hydr-oxy-5α-pregnane, the three six-membered rings adopt chair conformations while the five-membered ring is in an envelope conformation. The ester group attached to ring A is in an equatorial position. All the rings are trans-fused. Intra-molecular C-H⋯O and C-H⋯Cl inter-actions occur. The crystal structure is stabilized by inter-molecular N-H⋯O and C-H⋯O inter-actions close contacts ...[more]

PMID: 21580743

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