Information card for entry 1549070

Structure parameters

• Formula: C30 H38 O5
• Calculated formula: C30 H38 O5
• SMILES: O=C1C=C[C@@]2(C3=C([C@@]4(C[C@@H]5O[C@@]6(OC(=O)C(=C6)C)C[C@H]([C@@H]5[C@]4(CC3=O)C)C)C)CC[C@H]2C1(C)C)C
• Title of publication: Antiproliferative and Anti-inflammatory Lanostane Triterpenoids from the Polish Edible Mushroom Macrolepiota procera.
• Authors of publication: Chen, He-Ping; Zhao, Zhen-Zhu; Li, Zheng-Hui; Huang, Ying; Zhang, Shuai-Bing; Tang, Yang; Yao, Jian-Neng; Chen, Lin; Isaka, Masahiko; Feng, Tao; Liu, Ji-Kai
• Journal of publication: Journal of agricultural and food chemistry
• Year of publication: 2018
• a: 6.2081 ± 0.0003 Å
• b: 19.8715 ± 0.0011 Å
• c: 20.2149 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2493.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0547
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No