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Crystal structure of cholest-5-en-3?-yl 3-(2,4-dimeth-oxy-3-methyl-phen-yl)prop-2-enoate.

ABSTRACT: In the title compound, C39H58O4, the steroid rings A and C adopt a chair conformation, while ring B adopts a half-chair conformation, and ring D has an envelope conformation, with the methyl-substituted C atom as the flap. In the crystal, mol-ecules pack within layers parallel to (100), with their long axis parallel to the [101] direction. Adjacent layers are linked via C-H?O hydrogen bonds and C-H?? inter-actions, forming a three-dimensional framework.

SUBMITTER: Bugenhagen B 

PROVIDER: S-EPMC4384600 | biostudies-literature | 2015 Feb

REPOSITORIES: biostudies-literature

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Crystal structure of cholest-5-en-3β-yl 3-(2,4-dimeth-oxy-3-methyl-phen-yl)prop-2-enoate.

Bugenhagen Bernhard B   Munk Ariane A   Vill Volkmar V   Al Jasem Yosef Y   Thiemann Thies T  

Acta crystallographica. Section E, Crystallographic communications 20150110 Pt 2

In the title compound, C39H58O4, the steroid rings A and C adopt a chair conformation, while ring B adopts a half-chair conformation, and ring D has an envelope conformation, with the methyl-substituted C atom as the flap. In the crystal, mol-ecules pack within layers parallel to (100), with their long axis parallel to the [101] direction. Adjacent layers are linked via C-H⋯O hydrogen bonds and C-H⋯π inter-actions, forming a three-dimensional framework. ...[more]

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