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.

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作者:Yang Hequn, Zhao Jiangyu, Talipov Samat, Izotova Lidiya, Aisa Haji Akber, Ibragimov Bakhtiyar
The structure of the jatrophane diterpenoid (ES2), C(46)H(56)O(15), has ortho-rhom-bic (P2(1)2(1)2(1)) 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.

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