Crystal and mol-ecular structure of jatrophane diterpenoid (2 R,3 R,4 S,5 R,7 S,8 S,9 S,13 S,14 S,15 R)-2,3,8,9-tetra-acet-oxy-5,14-bis-(benzo-yloxy)-15-hydroxy-7-(iso-butano-yloxy)jatropha-6(17),11(E)-diene

Hequn Yang; Jiangyu Zhao; Samat Talipov; Lidiya Izotova; Haji Akber Aisa; Bakhtiyar Ibragimov

doi:10.1107/S205698901901541X

Crystal and mol-ecular structure of jatrophane diterpenoid (2 R,3 R,4 S,5 R,7 S,8 S,9 S,13 S,14 S,15 R)-2,3,8,9-tetra-acet-oxy-5,14-bis-(benzo-yloxy)-15-hydroxy-7-(iso-butano-yloxy)jatropha-6(17),11(E)-diene

Acta Crystallogr E Crystallogr Commun. 2019 Nov 19;75(Pt 12):1884-1887. doi: 10.1107/S205698901901541X. eCollection 2019 Dec 1.

Authors

Hequn Yang¹, Jiangyu Zhao¹, Samat Talipov², Lidiya Izotova², Haji Akber Aisa¹, Bakhtiyar Ibragimov²

Affiliations

¹ Key Laboratory of Plant Resources and Chemistry of Arid Zones, Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Science, Urumqi 830011, People's Republic of China.
² Institute of Bioorganic Chemistry, Academy of Sciences of Uzbekistan, H. Abdullaev Str, 83, Tashkent, 100125, Uzbekistan.

Abstract

The structure of the jatrophane diterpenoid (ES2), C₄₆H₅₆O₁₅, has ortho-rhom-bic (P2₁2₁2₁) symmetry. The absolute configuration in the crystal has been determined as 2R,3R,4S,5R,7S,8S,9S,13S,14S,15R [the Flack parameter is -0.06 (11)]. The mol-ecular structure features intra-molecular O-H⋯O and C-H⋯O hydrogen bonding. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules into supra-molecular columns parallel to the a axis. One of the acet-oxy substituents is disordered over two orientations in a 0.826 (8):0.174 (8) ratio.

Keywords: crystal structure; hydrogen bonding; jatrophane diterpene.

Grants and funding

This work was funded by Central Asian Drug Discovery and Development Center grant CAM 201707.