Information card for entry 1553348

Structure parameters

• Formula: C26 H34 O8
• Calculated formula: C26 H34 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@](C1=O)(C)C(=O)OC)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: 6.5706 ± 0.0002 Å
• b: 7.0972 ± 0.0002 Å
• c: 13.8873 ± 0.0005 Å
• α: 103.479 ± 0.001°
• β: 90.068 ± 0.001°
• γ: 105.91 ± 0.001°
• Cell volume: 604.17 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No