Crystal and molecular structure of jatrophane diterpenoid (2<i>R</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>,7<i>S</i>,8<i>S</i>,9<i>S</i>,13<i>S</i>,14<i>S</i>,15<i>R</i>)-2,3,8,9-tetraacetoxy-5,14-bis(benzoyloxy)-15-hydroxy-7-(isobutanoyloxy)jatropha-6(17),11(<i>E</i>)-diene
Hequn YangKey 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 ChinaJiangyu ZhaoKey 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 ChinaSamat A. TalipovInstitute of Bioorganic Chemistry, Academy of Sciences of Uzbekistan, H. Abdullaev Str, 83, Tashkent, 100125, UzbekistanL. Yu. IzotovaInstitute of Bioorganic Chemistry, Academy of Sciences of Uzbekistan, H. Abdullaev Str, 83, Tashkent, 100125, UzbekistanHaji Akber AisaKey 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 ChinaБ. Т. ИбрагимовInstitute of Bioorganic Chemistry, Academy of Sciences of Uzbekistan, H. Abdullaev Str, 83, Tashkent, 100125, Uzbekistan
ABI
Аннотация
The structure of the jatrophane diterpenoid (ES2), C 46 H 56 O 15 , has orthorhombic ( P 2 1 2 1 2 1 ) symmetry. The absolute configuration in the crystal has been determined as 2 R ,3 R ,4 S ,5 R ,7 S ,8 S ,9 S ,13 S ,14 S ,15 R [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.
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