Information card for entry 1553350

Structure parameters

• Formula: C26 H34 O7
• Calculated formula: C26 H34 O7
• SMILES: O1C(=O)[C@]2([C@]([C@@]3([C@H]([C@@]4(CCC(=O)C([C@H]4C(=O)C3)(C)C)C)CC2=C)C)(C(=O)[C@H]1C)C(=O)OC)C
• Title of publication: BACE1 Inhibitory Meroterpenoids from Aspergillus terreus.
• Authors of publication: Qi, Changxing; Liu, Mengting; Zhou, Qun; Gao, Weixi; Chen, Chunmei; Lai, Yongji; Hu, Zhengxi; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Li, Xiao-Nian; Zhang, Qing; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 9
• Pages of publication: 1937 - 1945
• a: 12.239 ± 0.0016 Å
• b: 8.3534 ± 0.001 Å
• c: 23.758 ± 0.003 Å
• α: 90°
• β: 97.666 ± 0.007°
• γ: 90°
• Cell volume: 2407.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1619
• Residual factor for significantly intense reflections: 0.1406
• Weighted residual factors for significantly intense reflections: 0.3624
• Weighted residual factors for all reflections included in the refinement: 0.3854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.617
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No