Information card for entry 7155510

Structure parameters

• Chemical name: (–)-(2R,7R,8R)-Sarcophytoxide
• Formula: C20 H30 O2
• Calculated formula: C20 H30 O2
• SMILES: C12=C(CO[C@@H]1C=C(CC[C@@H]1[C@@](CCC=C(CC2)C)(O1)C)C)C
• Title of publication: Isolation and structure elucidation of natural products of three soft corals and a sponge from the coast of Madagascar.
• Authors of publication: Rahelivao, Marie Pascaline; Lübken, Tilo; Gruner, Margit; Kataeva, Olga; Ralambondrahety, Rahanira; Andriamanantoanina, Hanta; Checinski, Marek P.; Bauer, Ingmar; Knölker, Hans-Joachim
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 2593 - 2608
• a: 5.6825 ± 0.0003 Å
• b: 14.2013 ± 0.0007 Å
• c: 11.4613 ± 0.0006 Å
• α: 90°
• β: 94.933 ± 0.002°
• γ: 90°
• Cell volume: 921.49 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No