Information card for entry 1556857

Structure parameters

• Formula: C32 H54 O4
• Calculated formula: C32 H54 O4
• SMILES: CC(C)[C@]1(CO)OC[C@@H]([C@@H]2[C@@]3(C)CCC4=C(CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)C3=C(C)C2)CC1.OC
• 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: 6.2668 ± 0.0008 Å
• b: 14.648 ± 0.003 Å
• c: 31.434 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2885.5 ± 0.8 ų
• Cell temperature: 106.7 K
• Ambient diffraction temperature: 106.7 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: 0.0523
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No