Information card for entry 1545571

Structure parameters

• Formula: C63 H101 O23
• Calculated formula: C63 H101 O23
• SMILES: O[C@H]1[C@H](O[C@@H]2[C@H](O[C@@H](O[C@H]3[C@@H](OC)C[C@H](O[C@H]4[C@@H](OC)C[C@H](O[C@H]5[C@H](OC)C[C@]6(O[C@H]7[C@H](OCO6)C[C@H](O[C@H]([C@]6(O)[C@]8(CC[C@@H]9[C@]%10(CC[C@H](O)CC%10=CC[C@H]9[C@@H]8CC6)C)C)C)O[C@@H]7C)O[C@@H]5C)O[C@@H]4C)O[C@@H]3C)C[C@@H]2OC)C)O[C@@H]([C@H](O)[C@@H]1OC)C
• Title of publication: Absolute Configuration of Periplosides C and F and Isolation of Minor Spiro-orthoester Group-Containing Pregnane-type Steroidal Glycosides from Periploca sepium and Their T-Lymphocyte Proliferation Inhibitory Activities.
• Authors of publication: Wang, Luo-Yi; Qin, Jun-Jun; Chen, Zhen-Hua; Zhou, Yu; Tang, Wei; Zuo, Jian-Ping; Zhao, Wei-Min
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 4
• Pages of publication: 1102 - 1109
• a: 11.5223 ± 0.0005 Å
• b: 11.5593 ± 0.0005 Å
• c: 14.854 ± 0.0006 Å
• α: 109.544 ± 0.002°
• β: 94.088 ± 0.002°
• γ: 113.055 ± 0.002°
• Cell volume: 1668.16 ± 0.13 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No