Information card for entry 1553399

Structure parameters

• Common name: (+) Mangostafeejin A
• Formula: C25 H28 O9
• Calculated formula: C25 H28 O9
• SMILES: c12c(C[C@H](O1)C(O)(C)C)c(OC)cc1OC3=CC(=O)C(=C4C[C@H]5O[C@](OC5(C)C)([C@]34[OH2])c21)OC
• 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: 11.686 ± 0.0002 Å
• b: 11.686 ± 0.0002 Å
• c: 29.8596 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3531.4 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No