Information card for entry 1553303

Structure parameters

• Formula: C22 H30 O5
• Calculated formula: C22 H30 O5
• SMILES: O1C[C@]23C4=C(O)C(=O)C(=C[C@@]14CC[C@H]3C(C[C@H](OC(=O)C)C2)(C)C)C(C)C
• Title of publication: Bioactive Terpenoids from Salvia plebeia: Structures, NO Inhibitory Activities, and Interactions with iNOS.
• Authors of publication: Xu, Jing; Wang, Meicheng; Sun, Xiaocong; Ren, Quanhui; Cao, Xiangrong; Li, Shen; Su, Guochen; Tuerhong, Muhetaer; Lee, Dongho; Ohizumi, Yasushi; Bartlam, Mark; Guo, Yuanqiang
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 11
• Pages of publication: 2924 - 2932
• a: 6.5355 ± 0.0013 Å
• b: 12.797 ± 0.003 Å
• c: 24.34 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2035.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1233
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No