Information card for entry 1501811

Structure parameters

• Formula: C22 H33 N O3
• Calculated formula: C22 H33 N O3
• SMILES: OCCOC(=O)[C@@]1(C)CCC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C(C1)C)CC#N)C
• Title of publication: Transformation of isosteviol lactam by fungi and the suppressive effects of its transformed products on LPS-induced iNOS expression in macrophages.
• Authors of publication: Chou, Bo-Hon; Yang, Li-Ming; Chang, Shwu-Fen; Hsu, Feng-Lin; Wang, Li-Hsuan; Lin, Wen-Kuang; Liu, Pan-Chun; Lin, Shwu-Jiuan
• Journal of publication: Journal of natural products
• Year of publication: 2011
• Journal volume: 74
• Journal issue: 6
• Pages of publication: 1379 - 1385
• a: 7.7118 ± 0.0012 Å
• b: 10.43 ± 0.003 Å
• c: 25.351 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2039.1 ± 0.9 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: 0.153
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No