Information card for entry 1542905

Structure parameters

• Formula: C27 H44 O7
• Calculated formula: C27 H44 O7
• SMILES: O[C@H]1CC[C@]2([C@H](C1(C)C)C[C@H](O)[C@@H]([C@@]12OC2=C(C(=O)[C@H]([C@@H]([C@]2(C1)C)C)C(=O)OC)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: 11.5247 ± 0.0006 Å
• b: 12.6097 ± 0.0006 Å
• c: 18.36 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2668.1 ± 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: 0.0742
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No