Information card for entry 1559925

Structure parameters

• Formula: C23 H32 O8
• Calculated formula: C23 H32 O8
• SMILES: O(C)C[C@@H]1C(=O)[C@]23[C@@]4(O[C@@H]5O[C@H]2[C@H]1C[C@H](OC(=O)C)[C@H]3[C@@]15[C@H]([C@@H]4O)C(C)(C)CCC1)O
• Title of publication: <i>ent</i>-Kaurane-Based Diterpenoids, Dimers, and Meroditerpenoids from <i>Isodon xerophilus</i>.
• Authors of publication: Dai, Jia-Meng; Hu, Kun; Yan, Bing-Chao; Li, Xing-Ren; Li, Xiao-Nian; Sun, Han-Dong; Puno, Pema-Tenzin
• Journal of publication: Journal of natural products
• Year of publication: 2020
• Journal volume: 83
• Journal issue: 12
• Pages of publication: 3717 - 3725
• a: 7.2637 ± 0.0003 Å
• b: 11.5713 ± 0.0005 Å
• c: 25.4564 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2139.62 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0262
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No