Information card for entry 1564533

Structure parameters

• Formula: C29 H40 O10
• Calculated formula: C29 H40 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]3C(=O)[C@@H]2[C@@H]1[C@@H](C[C@H](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: 13.7785 ± 0.0006 Å
• b: 9.1111 ± 0.0004 Å
• c: 23.6073 ± 0.0009 Å
• α: 90°
• β: 96.807 ± 0.002°
• γ: 90°
• Cell volume: 2942.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No