Information card for entry 1503465

Structure parameters

• Common name: wentilactone B
• Formula: C16 H18 O5
• Calculated formula: C16 H18 O5
• SMILES: C1[C@H](C[C@@]2([C@H]3[C@H](C=C4C(=CC(=O)OC4)[C@]13C)OC2=O)C)O
• Title of publication: Asperolides A-C, Tetranorlabdane Diterpenoids from the Marine Alga-Derived Endophytic Fungus Aspergillus wentii EN-48.
• Authors of publication: Sun, Hao-Fen; Li, Xiao-Ming; Meng, Li; Cui, Chuan-Ming; Gao, Shu-Shan; Li, Chun-Shun; Huang, Cai-Guo; Wang, Bin-Gui
• Journal of publication: Journal of natural products
• Year of publication: 2012
• Journal volume: 75
• Journal issue: 2
• Pages of publication: 148 - 152
• a: 7.7085 ± 0.0015 Å
• b: 9.851 ± 0.002 Å
• c: 10.445 ± 0.002 Å
• α: 80.9 ± 0.03°
• β: 69.55 ± 0.03°
• γ: 67.39 ± 0.03°
• Cell volume: 685.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.2007
• Weighted residual factors for all reflections included in the refinement: 0.2101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No