Information card for entry 7154092

Structure parameters

• Formula: C26 H38 O6
• Calculated formula: C26 H38 O6
• SMILES: O=C1OCC(=C1)[C@@H]1[C@]2(CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)[C@@H](O)C)CC[C@]34C)[C@@]2(O)CC1)C
• Title of publication: Structures, chemotaxonomic significance, cytotoxic and Na(+),K(+)-ATPase inhibitory activities of new cardenolides from Asclepias curassavica.
• Authors of publication: Zhang, Rong-Rong; Tian, Hai-Yan; Tan, Ya-Fang; Chung, Tse-Yu; Sun, Xiao-Hui; Xia, Xue; Ye, Wen-Cai; Middleton, David A.; Fedosova, Natalya; Esmann, Mikael; Tzen, Jason T. C.; Jiang, Ren-Wang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 44
• Pages of publication: 8919 - 8929
• a: 11.4718 ± 0.0005 Å
• b: 12.9514 ± 0.0005 Å
• c: 15.8446 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2354.13 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No