Information card for entry 7154094

Structure parameters

• Formula: C26 H38 N0 O7
• Calculated formula: C26 H38 O7
• SMILES: O=C1OCC(=C1)[C@@H]1[C@]2(CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34COC(=O)[C@@H](O)C)[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: 6.3498 ± 0.0003 Å
• b: 19.5019 ± 0.0008 Å
• c: 9.5651 ± 0.0005 Å
• α: 90°
• β: 102.297 ± 0.004°
• γ: 90°
• Cell volume: 1157.3 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No