Information card for entry 7158488

Structure parameters

• Formula: C27 H40 O6
• Calculated formula: C27 H40 O6
• SMILES: O=C1[C@]2(C[C@@H]3[C@@](O)(C)CC[C@@H]3[C@](O)(C2)C)C(C(C(=O)CC(C)C)=C(O)[C@]1(C)CC=C(C)C)=O
• Title of publication: Discovery of 13,15-<i>nor</i>-polycyclic polyprenylated acylphloroglucinols from <i>Hypericum longistylum</i> with anti-inflammatory activity.
• Authors of publication: Shi, Zhengyi; Hu, Hong; Guo, Yi; Duan, Yulin; Zhang, Yeting; Tao, Bo; Bu, Pengfei; Sun, Weiguang; Qi, Changxing; Zhang, Yonghui
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 6
• Pages of publication: 1284 - 1291
• a: 9.3578 ± 0.0003 Å
• b: 11.4643 ± 0.0003 Å
• c: 23.4068 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2511.1 ± 0.13 ų
• Cell temperature: 157 ± 2 K
• Ambient diffraction temperature: 157 ± 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: 0.0486
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No