Information card for entry 1553400

Structure parameters

• Common name: (-) Mangostafeejin A
• Formula: C25 H28 O9
• Calculated formula: C25 H28 O9
• SMILES: c12c3[C@]45OC(C)(C)[C@H](CC6=C(C(=O)C=C(Oc3cc(c1C[C@@H](O2)C(O)(C)C)OC)[C@]46O)OC)O5
• Title of publication: Biotransformation of β-Mangostin by an Endophytic Fungus of Garcinia mangostana to Furnish Xanthenes with an Unprecedented Heterocyclic Skeleton.
• Authors of publication: Arunrattiyakorn, Panarat; Kuno, Mayuso; Aree, Thammarat; Laphookhieo, Surat; Sriyatep, Teerayut; Kanzaki, Hiroshi; Garcia Chavez, Miguel Angel; Wang, Yan Alexander; Andersen, Raymond J.
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 10
• Pages of publication: 2244 - 2250
• a: 11.6878 ± 0.0003 Å
• b: 11.6878 ± 0.0003 Å
• c: 29.8747 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3534.27 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No