Information card for entry 1542908

Structure parameters

• Formula: C26 H38 O6
• Calculated formula: C26 H38 O6
• SMILES: OC(=O)C1=C([C@@]2(C(=C(C1=O)C)O[C@@]1(C2)[C@H](CC[C@@H]2[C@@]1(CCC(=O)C2(C)C)C)C)C)C.OC
• Title of publication: Chermesins A-D: Meroterpenoids with a Drimane-Type Spirosesquiterpene Skeleton from the Marine Algal-Derived Endophytic Fungus Penicillium chermesinum EN-480.
• Authors of publication: Liu, Hui; Li, Xiao-Ming; Liu, Yang; Zhang, Peng; Wang, Jia-Ning; Wang, Bin-Gui
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 4
• Pages of publication: 806 - 811
• a: 8.0099 ± 0.0005 Å
• b: 8.5188 ± 0.0004 Å
• c: 35.9835 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2455.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0507
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No