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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-dodecahydrophenanthro[3,2-b]furan-5-yl cinnamate], a natural diterpene known as pulcherrin J, was isolated from stem barks of medicinally importantCaesalpinia pulcherrima(L.). The crystal structure of pulcherrin J shows it to be composed of a central core of threetrans-fused cyclohexane 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 CuKα radiation. In the crystal, molecules 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%).
crystal structure, Crystallography, QD901-999, Hirshfeld surface analysis, Caesalpinia pulcherrima (L.), diterpene, Pulcherrin J, Research Communications
crystal structure, Crystallography, QD901-999, Hirshfeld surface analysis, Caesalpinia pulcherrima (L.), diterpene, Pulcherrin J, Research Communications
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