Information card for entry 1553401

Structure parameters

• Formula: C25 H28 O9
• Calculated formula: C25 H28 O9
• SMILES: c12c3[C@@]45O[C@H](CC6=C(C(=O)C=C(Oc3cc(OC)c2C[C@@H](C(C)(C)O)O1)[C@@]56O)OC)C(O4)(C)C.c12c3[C@]45O[C@@H](CC6=C(C(=O)C=C(Oc3cc(OC)c2C[C@H](C(C)(C)O)O1)[C@]56O)OC)C(O4)(C)C
• 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: 22.1574 ± 0.0011 Å
• b: 10.8642 ± 0.0005 Å
• c: 21.0512 ± 0.001 Å
• α: 90°
• β: 115.067 ± 0.001°
• γ: 90°
• Cell volume: 4590.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No