Crystal structure of (1R,3aR,7aR)-1-{(S)-1-[(2R,5S)-5-(3-hy­droxy­pentan-3-yl)tetra­hydro­furan-2-yl]eth­yl}-7a-methyl-2,3,3a,4,5,6,7,7a-octa­hydro-1H-inden-4-one

Acta Crystallographica Section E: Crystallographic Communications

Barry, A.H.⁶  Martí⁶  Gaye, M.⁷  nez, A.⁷  Garrido, F.⁸  Santalla, H.⁹  Fall Diop, Y.⁹ 

[1] Cheikh Anta Diop, Dakar, Senegal;de Nouakchott, Nouakchott, Mauritania;des Sciences et Techniques, Universitédes Sciences, UniversitéDéDipartamento Química Orgímica, Universidade de Vigo, E-36310, Vigo, Spain;nica, Facultade de Quípartement de Chimie, Faculté

关键词: CRYSTAL STRUCTURE;    CALCITRIOL;    VITAMIN D;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989016020648

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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 mol­ecules into a three-dimensional network.

【 授权许可】

CC BY