Information card for entry 1564532

Structure parameters

• Formula: C29 H39 O10
• Calculated formula: C29 H39 O10
• SMILES: O([C@H]1[C@H]2O[C@H]2C[C@]2(O)[C@@H](O)C(=O)[C@@H]3[C@@H]([C@@]12C)C[C@H](OC(=O)C)[C@]1([C@H]3[C@H](O)[C@@H]2[C@@H]1[C@@H](CC(=O)[C@H]2C)C)C)C(=O)C
• Title of publication: Taccachatrones A-G, Highly Oxidized Steroids from the Rhizomes of <i>Tacca chantrierii</i> and Their Cytotoxicity Assessment.
• Authors of publication: He, Juan; Ma, Rui; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai
• Journal of publication: Journal of natural products
• Year of publication: 2021
• Journal volume: 84
• Journal issue: 8
• Pages of publication: 2265 - 2271
• a: 9.2386 ± 0.0002 Å
• b: 11.0791 ± 0.0002 Å
• c: 26.7495 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2737.96 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0417
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0972
• 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