Information card for entry 1513229

Structure parameters

• Formula: C24 H36 O7
• Calculated formula: C24 H36 O7
• SMILES: CCOC[C@H]1[C@@H]2CC(=O)[C@@H]3[C@](C1=O)([C@@H]2O)[C@H](O)C[C@H]1[C@@]3(C)CC[C@@H](C1(C)C)OC(=O)C
• 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: 12.0609 ± 0.0002 Å
• b: 6.8263 ± 0.0001 Å
• c: 29.7481 ± 0.0005 Å
• α: 90°
• β: 98.082 ± 0.001°
• γ: 90°
• Cell volume: 2424.87 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No