Information card for entry 1513224

Structure parameters

• Formula: C23 H38 O8
• Calculated formula: C23 H38 O8
• SMILES: C1C[C@@H](C([C@@H]2[C@@]1([C@H]1[C@@]3([C@@H](C2)O)[C@@H]([C@@H](C[C@@H]1O)C(=C)C3=O)O)C)(C)C)OC(=O)C.CO.O
• Title of publication: Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei.
• Authors of publication: Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui
• Journal of publication: Journal of natural products
• Year of publication: 2013
• Journal volume: 76
• Journal issue: 12
• Pages of publication: 2253 - 2262
• a: 8.4307 ± 0.0002 Å
• b: 11.7779 ± 0.0003 Å
• c: 23.1333 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2297.04 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0294
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No