Crystal Structure and Antiproliferative Activity of Ethyl 3,9-Dihydroxy-9-methyl-7-phenyl-7,8,10-tri

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Ethyl 3,9-dihydroxy-9-methyl-7-phenyl-7,8,10-trihydro-6H-dibenzo[b,d]pyran-6-one-8-carboxylate(C_(23)H_(22)O_6,M_r = 394.42) has been synthesized and its structure was determined by ~1H and ~(13)C NMR,ESI-MS,elemental analysis,and X-ray single-crystal diffraction.The crystal belongs to the triclinic system,space group P1,with a = 8.8220(17),b = 9.881(2),c = 12.157(2) A,α= 90.488(3),β= 102.664(4),γ= 98.799(3)°,V= 1020.8(3) A~3,Z= 2,D_c = 1.342 g/cm~3,μ= 0.099mm~(-1),F(000) = 436,R = 0.0615 and wR = 0.2501 for 2592 observed reflections with(I>2σ(I)).In the crystal structure,the coumarin ring system is planar and the 3:4 fused cyclohexane ring adopts distorted half-chair conformation.Rich hydrogen bonding interactions are formed between compound 2 and lattice water molecules.These interactions assemble molecules of 2 into 2D layered networks in an AB stacking sequence.Its in vitro antiproliferative activities against three human cancer cell lines were evaluated by MTT assay. Ethyl 3,9-dihydroxy-9-methyl-7-phenyl-7,8,10-trihydro-6H- dibenzo [b, d] pyran- , M_r = 394.42) has been synthesized and its structure was determined by ~ 1H and ~ (13) C NMR, ESI-MS, elemental analysis, and X-ray single- crystal diffraction. The crystal belongs to the triclinic system, space group (3), β = 102.664 (4), γ = 98.799 (3) °, V = 1020.8 (2), c = 12.157 (2) A, α = 90.488 (3) A~3, Z = 2, D_c = 1.342 g / cm~3, μ = 0.099 mm -1, F (000) = 436, R = 0.0615 and wR = I> 2σ (I)). In the crystal structure, the coumarin ring system is planar and the 3: 4 fused cyclohexane ring by distorted half-chair conformation. Rich hydrogen bonding interactions are formed between compound 2 and lattice water molecules. assemble molecules of 2 into 2D layered networks in an AB stacking sequence. Its in vitro antiproliferative activities against three human cancer cell lines were evaluated as MTT assay.
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