Information card for entry 1542619

Structure parameters

• Formula: C27 H34 O8
• Calculated formula: C27 H34 O8
• SMILES: O=C1CC[C@]2(C(=C(O)C(=O)[C@@]3([C@@H]2[C@@H](O)C[C@@]2([C@]43O[C@@H]4C[C@H]2C2=C[C@H](OC2=O)OC)C)C)C1(C)C)C
• Title of publication: Limonoids and Triterpenoids as 11β-HSD1 Inhibitors from Walsura robusta.
• Authors of publication: Wang, Guo-Cai; Yu, Jin-Hai; Shen, Yu; Leng, Ying; Zhang, Hua; Yue, Jian-Min
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 4
• Pages of publication: 899 - 906
• a: 7.4553 ± 0.0002 Å
• b: 12.0869 ± 0.0004 Å
• c: 28.1295 ± 0.0007 Å
• α: 90°
• β: 90.18 ± 0.002°
• γ: 90°
• Cell volume: 2534.78 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0477
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No