Information card for entry 1556858

Structure parameters

• Formula: C29 H44 O2
• Calculated formula: C29 H44 O2
• SMILES: C1CC(=O)[C@H]([C@@H]2CC=C3C(=C[C@H]([C@]4([C@H]3CC[C@@H]4[C@@H](CCC(=C)C(C)C)C)C)O)[C@@]12C)C
• Title of publication: Antcamphorols A‒K, Cytotoxic and ROS Scavenging Triterpenoids from Antrodia camphorata
• Authors of publication: Li, Bin; Kuang, Yi; He, Jun-Bin; Tang, Rui; Xu, Lu-Lu; Leung, Chung-Hang; Ma, Dik-Lung; Qiao, Xue; Ye, Min
• Journal of publication: Journal of Natural Products
• Year of publication: 2019
• a: 11.0367 ± 0.0008 Å
• b: 12.1537 ± 0.0007 Å
• c: 18.4758 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2478.3 ± 0.2 ų
• Cell temperature: 103.8 K
• Ambient diffraction temperature: 103.8 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: 0.1086
• Residual factor for significantly intense reflections: 0.1064
• Weighted residual factors for significantly intense reflections: 0.2631
• Weighted residual factors for all reflections included in the refinement: 0.2645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No