Information card for entry 1543553

Structure parameters

• Formula: C26 H36 O5
• Calculated formula: C26 H36 O5
• SMILES: C1CC(=O)C([C@@H]2CC[C@]3([C@H]([C@@]12C)C[C@@]1(C(=C(C(=O)[C@]3(C1=O)C)C(=O)OC)C)C)C)(C)C
• Title of publication: Asperterpenes A and B, two unprecedented meroterpenoids from Aspergillus terreus with BACE1 inhibitory activities
• Authors of publication: Qi, Changxing; Bao, Jian; Wang, Jianping; Zhu, Hucheng; Xue, Yongbo; Wang, Xiaochuan; Li, Hua; Sun, Weiguang; Gao, Weixi; Lai, Yongji; Chen, Jian-Guo; Zhang, Yonghui
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 6563
• a: 7.9301 ± 0.0002 Å
• b: 11.6306 ± 0.0003 Å
• c: 25.2568 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2329.48 ± 0.1 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: 0.0345
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No