Crystal structure and Hirshfeld surface analysis of pulcherrin J
نویسندگان
چکیده
The title compound, C29H36O4 [systematic name (4aR,5R,6aS,7R,11aS,11bR)-4a-hydroxy-4,4,7,11b-tetramethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophen-anthro[3,2-b]furan-5-yl cinnamate], a natural diterpene known as pulcherrin J, was isolated from stem barks of medicinally important Caesalpinia pulcherrima (L.). The crystal structure of pulcherrin J shows it to be composed of a central core of three trans-fused cyclo-hexane rings and a near planar five-membered furan ring, along with an axially oriented cinnamate moiety and an -hydroxy substituent attached at positions 4a and 5 of the steroid ring system, respectively. The absolute structure was established with the use of Cu Kα radiation. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds to generate [100] C(8) chains. Hirshfeld surface analysis indicates that the most significant contacts in packing are H⋯H (67.5%), followed by C⋯H (19.6%) and H⋯O (12.9%).
منابع مشابه
همنهشت، ساختار بلوری و آنالیز سطح هیرشفلد نمک اسیدی [4-متیل فنیل آمونیوم] [(O-فنیل)(هیدروکسیل)فسفات]، [4-CH3-C6H4NH3][(C6H5O)P(O)(O)(OH)]
The synthesis and X-ray diffraction analysis of a new acidic salt, [4-methyl-phenyl ammonium][(O-phenyl)(hydroxyl)phosphate], [4-CH3-C6H4NH3][(C6H5O)P(O)(O)(OH)], is reported. This compound crystallizes in the monoclinic system, with space group P21/c (a = 9.5147(4) Å, b = 23.2158(10) Å, c = 13.2740(6) Å and b = 111.244(4)°) with four independent components including two cations and two anions...
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