Information card for entry 1553395

Structure parameters

• Formula: C27 H46 O9
• Calculated formula: C27 H46 O9
• SMILES: O[C@]1([C@@H]2CC[C@@H]3[C@@](CC[C@@]4([C@H](C[C@H](O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C4(C)C)C3=C)O)(C2)C1)C.OC
• Title of publication: Grayanane Diterpenoid Glucosides from the Leaves of Rhododendron micranthum and Their Bioactivities Evaluation.
• Authors of publication: Sun, Na; Zhu, Yan; Zhou, Haofeng; Zhou, Junfei; Zhang, Hanqi; Zhang, Mengke; Zeng, Hong; Yao, Guangmin
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 12
• Pages of publication: 2673 - 2681
• a: 6.9345 ± 0.0002 Å
• b: 13.2666 ± 0.0004 Å
• c: 28.7946 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2649.02 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No