Information card for entry 1503447

Structure parameters

• Formula: C25 H36 O4
• Calculated formula: C25 H36 O4
• SMILES: [C@@H]12C=C(C(=O)C[C@@H]1C(=C[C@H]([C@H]1[C@](C=C[C@H]3C(CCC[C@]13C)(C)C)(C)O)O2)CO)C
• Title of publication: Ansellone A, a sesterterpenoid isolated from the nudibranch Cadlina luteromarginata and the sponge Phorbas sp., activates the cAMP signaling pathway.
• Authors of publication: Daoust, Julie; Fontana, Angelo; Merchant, Catherine E.; de Voogd, Nicole J.; Patrick, Brian O.; Kieffer, Timothy J.; Andersen, Raymond J.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 14
• Pages of publication: 3208 - 3211
• a: 7.4731 ± 0.0002 Å
• b: 11.0807 ± 0.0003 Å
• c: 13.9955 ± 0.0004 Å
• α: 90°
• β: 105.044 ± 0.001°
• γ: 90°
• Cell volume: 1119.21 ± 0.05 ų
• Cell temperature: 90 ± 0.1 K
• Ambient diffraction temperature: 90 ± 0.1 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: 0.034
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No