Information card for entry 4020826

Structure parameters

• Formula: C15 H22 O6
• Calculated formula: C15 H22 O6
• SMILES: C1(=O)[C@@H]([C@H](CC1)[C@H](OC)C)C(=O)O[C@H]1C(=O)OCC1(C)C
• Title of publication: Novel Synthesis of Highly Functionalized 14-β-Hydroxysteroids Related to Batrachotoxin and Ouabain
• Authors of publication: Stéphane Trudeau; Pierre Deslongchamps
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 832 - 838
• a: 8.6202 ± 0.0004 Å
• b: 10.0407 ± 0.0005 Å
• c: 18.1422 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1570.26 ± 0.13 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No