Information card for entry 1545923

Structure parameters

• Formula: C37 H60 O11
• Calculated formula: C37 H56.75 O11
• SMILES: O(C)C1=C[C@H](O[C@@H](O[C@@H]2CC3=CC[C@@H]4[C@@H]([C@]3(CC2)C)CC[C@]2([C@H]4CC[C@]2(O)[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](OCOCC)C2)C)C)C)C1=O)C.O
• 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: 12.5069 ± 0.0016 Å
• b: 23.641 ± 0.003 Å
• c: 25.417 ± 0.003 Å
• α: 90°
• β: 98.788 ± 0.002°
• γ: 90°
• Cell volume: 7427 ± 1.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296.15 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: 0.1501
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No