Information card for entry 1516827

Structure parameters

• Formula: C30 H38 O5
• Calculated formula: C30 H38 O5
• SMILES: C1=CC(=O)OC([C@@H]2CCC3=C(CC[C@@]45[C@]3(CC[C@@H]4[C@@H]([C@]3(OC(=O)C(=CC3)C)OC5)C)C)C=C12)(C)C
• Title of publication: Triterpene Lactones from Cultures of Ganoderma sp. KM01.
• Authors of publication: Lakornwong, Waranya; Kanokmedhakul, Kwanjai; Kanokmedhakul, Somdej; Kongsaeree, Palangpon; Prabpai, Samran; Sibounnavong, Phoutthasone; Soytong, Kasem
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 7
• Pages of publication: 1545 - 1553
• a: 7.304 ± 0.0003 Å
• b: 15.576 ± 0.0008 Å
• c: 11.301 ± 0.0006 Å
• α: 90°
• β: 100.378 ± 0.003°
• γ: 90°
• Cell volume: 1264.65 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No