Information card for entry 7153823

Structure parameters

• Formula: C30 H54 O5
• Calculated formula: C30 H54 O5
• SMILES: O[C@H]1CC[C@]2([C@H](C1(C)C)[C@@H](O)C[C@@]1([C@@H]2CC[C@H]2[C@]1(C[C@H](O)[C@@H]2[C@](O)(C)CCC=C(C)C)C)C)C.O
• Title of publication: Dammarane-type triterpenoids as 11β-HSD1 inhibitors from Homonoia riparia.
• Authors of publication: Yu, Jin-Hai; Shen, Yu; Liu, Hong-Bing; Leng, Ying; Zhang, Hua; Yue, Jian-Min
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 26
• Pages of publication: 4716 - 4722
• a: 10.5637 ± 0.0003 Å
• b: 13.2734 ± 0.0003 Å
• c: 20.6274 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2892.3 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0674
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No