Information card for entry 7225585

Structure parameters

• Formula: C29 H45 O10
• Calculated formula: C29 H45 O10
• SMILES: O([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2C=C[C@@]24[C@]3(O)O[C@@H]3CO[C@](OC4)([C@H]23)C)C1)C)[C@@H]1O[C@@H]([C@@H](O)[C@H](OC)[C@H]1O)C.OC
• Title of publication: Hirundigenin type C21 steroidal glycosides from Cynanchum stauntonii and their anti-inflammatory activity
• Authors of publication: Lai, Changzhi; Liu, Haibin; Liu, Jianxin; Ouyang, Qin; Pang, Shuwen; Zhou, Hua; Tian, Hai-Yan; Liu, Liang; Yao, Xin-Sheng; Tang, Jinshan
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.6095 ± 0.0014 Å
• b: 7.891 ± 0.0008 Å
• c: 21.093 ± 0.003 Å
• α: 90°
• β: 99.705 ± 0.013°
• γ: 90°
• Cell volume: 1412.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0674
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No