Information card for entry 7157711

Structure parameters

• Chemical name: rel-(5β,8α,10α)-8-hydroxy-13-methylpodocarpa-9(11),13-diene-3,12-dione
• Formula: C18 H24 O3
• Calculated formula: C18 H24 O3
• SMILES: O=C1CC[C@@]2([C@@H](C1(C)C)CC[C@@]1(O)C2=CC(=O)C(=C1)C)C
• Title of publication: Aleuritin, a novel dinor-diterpenoid from the twigs of <i>Aleurites moluccanus</i> with an anti-lymphangiogenic effect.
• Authors of publication: Chang, Fang-Rong; Wang, Shih-Wei; Chen, Shu-Rong; Lee, Ching-Ying; Sheu, Jyh-Horng; Cheng, Yuan-Bin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 39
• Pages of publication: 7892 - 7898
• a: 7.0307 ± 0.001 Å
• b: 8.666 ± 0.001 Å
• c: 25.171 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1533.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1349
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.2208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No