Title of article :
Crystal and molecular structure of jatrophane diterpenoid (2R,3R,4S,5R,7S,8S,9S,13S,14S,15R)-2,3,8,9-tetraacetoxy-5,14-bis(benzoyloxy)-15-hydroxy-7-(isobutanoyloxy)jatropha-6(17),11(E)-diene
Author/Authors :
Yang, Hequn Key Laboratory of Plant Resources and Chemistry of Arid Zones - Xinjiang Technical Institute of Physics and Chemistry - Chinese Academy of Science, People's Republic of China , Zhao, Jiangyu Key Laboratory of Plant Resources and Chemistry of Arid Zones - Xinjiang Technical Institute of Physics and Chemistry - Chinese Academy of Science, People's Republic of China , Talipov, Samat Institute of Bioorganic Chemistry - Academy of Sciences of Uzbekistan, Uzbekistan , Izotova, Lidiya Institute of Bioorganic Chemistry - Academy of Sciences of Uzbekistan, Uzbekistan , Aisa, Haji Akber Key Laboratory of Plant Resources and Chemistry of Arid Zones - Xinjiang Technical Institute of Physics and Chemistry - Chinese Academy of Science, People's Republic of China , Ibragimov, Bakhtiyar Institute of Bioorganic Chemistry - Academy of Sciences of Uzbekistan, Uzbekistan
Abstract :
The structure of the jatrophane diterpenoid (ES2), C46H56O15, has orthorhombic (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 molecular structure features intramolecular O—H⋯O and C—H⋯O hydrogen bonding. In the crystal, C—H⋯O hydrogen bonds link the molecules into supramolecular columns parallel to the a axis. One of the acetoxy substituents is disordered over two orientations in a 0.826 (8):0.174 (8) ratio.
Keywords :
crystal structure , hydrogen bonding , jatrophane diterpene
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
