Information card for entry 4026763

Structure parameters

• Common name: cytospolide Q
• Chemical name: (3R,4S,5S)-4-hydroxy-5-((2R,5S)-5-((R)-1-hydroxyhexyl)- tetrahydrofuran-2-yl)-3-methyl-dihydrofuran-2(3H)-one
• Formula: C15 H26 O5
• Calculated formula: C15 H26 O5
• SMILES: O[C@@H]([C@H]1O[C@H](CC1)[C@H]1OC(=O)[C@@H]([C@@H]1O)C)CCCCC
• Title of publication: Bioactive Nonanolide Derivatives Isolated from the Endophytic Fungus Cytosporasp.
• Authors of publication: Shan Lu; Peng Sun; Tiejun Li; Tibor Kurtán; Attila Mándi; Sándor Antus; Karsten Krohn; Siegfried Draeger; Barbara Schulz; Yanghua Yi; Ling Li; Wen Zhang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 9699 - 9710
• a: 5.1139 ± 0.0002 Å
• b: 16.2267 ± 0.0005 Å
• c: 19.0927 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1584.35 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0327
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No