Information card for entry 1543148

Structure parameters

• Formula: C20 H30 O6
• Calculated formula: C20 H30 O6
• SMILES: OC(C)([C@@H]1[C@@H](Cc2c(O)c(C(=O)C(C)C)c(O)cc2O)[C@@](O)(CC1)C)C
• Title of publication: (±)-Japonicols A-D, Acylphloroglucinol-Based Meroterpenoid Enantiomers with Anti-KSHV Activities from Hypericum japonicum.
• Authors of publication: Hu, Linzhen; Xue, Yongbo; Zhang, Jinwen; Zhu, Hucheng; Chen, Chunmei; Li, Xiao-Nian; Liu, Junjun; Wang, Zhenzhen; Zhang, Yu; Zhang, Yonghui
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 5
• Pages of publication: 1322 - 1328
• a: 9.9306 ± 0.0012 Å
• b: 13.3269 ± 0.0016 Å
• c: 14.2698 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1888.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0322
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No