Information card for entry 1505799

Structure parameters

• Chemical name: methyl(1S,3S,10S,14S,18S)-20-hydroxy-18- (hydroxymethyl)-14-methyl-12-azahexacyclo [10.6.1.11,4.07,20.010,18.015,19]icosane-3-carboxylate
• Formula: C23 H35 N O4
• Calculated formula: C23 H35 N O4
• SMILES: N12[C@H]3[C@H](CC[C@]4([C@@H](C1)CC[C@@H]1[C@@]5(O)[C@@]34C[C@H]([C@H]5CC1)C(=O)OC)CO)[C@@H](C2)C
• Title of publication: Daphnioldhanins A-C, alkaloids from Daphniphyllum oldhami
• Authors of publication: Mu, Shu-Zhen; Wang, Ye; He, Hong-Ping; Yang, Xian-Wen; Wang, Yue-Hu; Di, Ying-Tong; Lu, Yang; Chang, Ying; Hao, Xiao-Jiang
• Journal of publication: Journal of natural products
• Year of publication: 2006
• Journal volume: 69
• Journal issue: 7
• Pages of publication: 1065 - 1069
• a: 7.913 ± 0.0016 Å
• b: 9.484 ± 0.0019 Å
• c: 26.271 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1971.6 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0749
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.39
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No