Information card for entry 8100481

Structure parameters

• Common name: SY-1, 20-deoxy-salinomycin
• Formula: C43 H73 Na O11
• Calculated formula: C42.693 H71.772 Na O10.693
• SMILES: CO.O[C@@]1(CC)[C@H](C)[O]2[C@@H]([C@@]3(CC[C@@]45CC=C[C@@]6([C@@H](C[C@H](C)[C@H](O6)[C@@H](CC)C6=[O][Na]72([O]=C([C@@H]([C@H]2CC[C@@H]([C@H]([C@H]([C@H](O)[C@@H]6C)C)O2)C)CC)O7)[O]35)C)O4)C)CC1
• Title of publication: Crystal structure of the antibiotic SY-1 (20-deoxy-salinomycin): sodium 2-(6-[2-(5-ethyl-5-hydroxy-6-methyl-tetrahydro-pyran-2-yl)-2,10,12- trimethyl-1,6,8-trioxa-dispiro[4.1.5.3]pentadec- 13-en-9-yl]-2-hydroxy- 1,3-dimethyl-4-oxo-heptyl-5-methyl-tetrahydro-pyran-2-yl)-butyrate — methanol solvate (1:0.69),C~42~H~69~NaO~10~ · 0.69CH~3~OH
• Authors of publication: Paulus, E. F.; Vértesy, L.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 4
• Pages of publication: 575 - 577
• a: 11.295 ± 0.001 Å
• b: 18.628 ± 0.001 Å
• c: 21.823 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4591.5 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No