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

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.

SUBMITTER: Yang H 

PROVIDER: S-EPMC6895953 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature