Information card for entry 1553345

Structure parameters

• Formula: C27 H36 O8
• Calculated formula: C27 H36 O8
• SMILES: C1CC(=O)C([C@H]2C(=O)[C@H]([C@]3([C@H]([C@]12C)CC(=C)[C@@]1([C@H]3C(=O)O[C@@](C)(C1=O)C(=O)OCC)C)C)O)(C)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: 27.2552 ± 0.0004 Å
• b: 27.2552 ± 0.0004 Å
• c: 7.0051 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5203.71 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No