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(3S,7R)-7,14,16-Trihy-droxy-3-methyl-3,4,5,6,7,8,9,10,11,12-deca-hydro-1H-2-benzoxacyclo-tetra-decin-1-one.

ABSTRACT: The asymmetric unit of the title compound, C(18)H(26)O(5), which is known as ?-zearalanol, contains two mol-ecules having the same conformation, with a r.m.s. deviation of less than 0.03?Å for all non-H atoms. In each independent mol-ecule, an intra-molecular O-H?O hydrogen bond stabilizes the mol-ecular conformation. In the crystal, O-H?O hydrogen bonds link the mol-ecules, forming infinite chains along [110] and [1-10].

SUBMITTER: Drzymala S

PROVIDER: S-EPMC3515178 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

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(3S,7R)-7,14,16-Trihy-droxy-3-methyl-3,4,5,6,7,8,9,10,11,12-deca-hydro-1H-2-benzoxacyclo-tetra-decin-1-one.

Drzymala Sarah S Kraus Werner W Emmerling Franziska F Koch Matthias M

Acta crystallographica. Section E, Structure reports online 20121006 Pt 11

The asymmetric unit of the title compound, C(18)H(26)O(5), which is known as α-zearalanol, contains two mol-ecules having the same conformation, with a r.m.s. deviation of less than 0.03 Å for all non-H atoms. In each independent mol-ecule, an intra-molecular O-H⋯O hydrogen bond stabilizes the mol-ecular conformation. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules, forming infinite chains along [110] and [1-10]. ...[more]

PMID: 23284405

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