Information card for entry 1553531

Structure parameters

• Formula: C30 H50 O3
• Calculated formula: C30 H50 O3
• SMILES: O[C@H]1CC[C@]2([C@H](C1(C)C)C[C@H](O)[C@@]12C(=O)[C@@]2([C@@](CC1)([C@H]1[C@](CC2)([C@H](CC1)C(C)C)C)C)C)C
• Title of publication: A novel spirocyclic triterpenoid and a new taraxerane triterpenoid from Teucrium viscidum
• Authors of publication: Li, Zheng-Yu; Qi, Feng-Ming; Zhi, De-Juan; Hu, Qiao-Ling; Liu, Ying-Hong; Zhang, Zhan-Xin; Fei, Dong-Qing
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 42
• a: 6.52391 ± 0.0001 Å
• b: 12.9427 ± 0.0002 Å
• c: 31.7963 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2684.78 ± 0.08 ų
• Cell temperature: 154.89 ± 0.1 K
• Ambient diffraction temperature: 293 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: 0.0436
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No