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Crystal structure of (1R,3aR,7aR)-1-{(S)-1-[(2R,5S)-5-(3-hy-droxy-pentan-3-yl)tetra-hydro-furan-2-yl]eth-yl}-7a-methyl-2,3,3a,4,5,6,7,7a-octa-hydro-1H-inden-4-one.

ABSTRACT: The title compound, C21H36O3, contains an oxolane ring, and six defined stereocentres and may serve as a useful synthon for the synthesis of calcitriol analogues. The configurations of the chiral C atoms of the side chain were unambiguously established in the refinement. In the crystal, C-H?O and extremely weak O-H?O hydrogen bonds arising from the sterically hindered alcohol group link the mol-ecules into a three-dimensional network.

SUBMITTER: Martinez A

PROVIDER: S-EPMC5290546 | biostudies-other | 2017 Feb

REPOSITORIES: biostudies-other

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Crystal structure of (1R,3aR,7aR)-1-{(S)-1-[(2R,5S)-5-(3-hy-droxy-pentan-3-yl)tetra-hydro-furan-2-yl]eth-yl}-7a-methyl-2,3,3a,4,5,6,7,7a-octa-hydro-1H-inden-4-one.

Martínez Andrea A Santalla Hugo H Garrido Fátima F Barry Aliou Hamady AH Gaye Mohamed M Fall Diop Yagamare Y

Acta crystallographica. Section E, Crystallographic communications 20170106 Pt 2

The title compound, C21H36O3, contains an oxolane ring, and six defined stereocentres and may serve as a useful synthon for the synthesis of calcitriol analogues. The configurations of the chiral C atoms of the side chain were unambiguously established in the refinement. In the crystal, C-H⋯O and extremely weak O-H⋯O hydrogen bonds arising from the sterically hindered alcohol group link the mol-ecules into a three-dimensional network. ...[more]

PMID: 28217323

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