Information card for entry 1546200

Structure parameters

• Formula: C30.5 H60.33333 O5.83333
• Calculated formula: C30.6667 H54.3333 O5.66667
• SMILES: O[C@@H]1C(C2=CC[C@@H]3[C@@]([C@@H]2CC1)(C)[C@H](O)C[C@]1([C@@]3(C)CC[C@@H]1[C@H](C)CC[C@@H](O)C(O)(C)C)C)(C)C.O.OC.O
• Title of publication: Cucurbitane Glucosides from the Crude Extract of Siraitia grosvenorii with Moderate Effects on PGC-1α Promoter Activity.
• Authors of publication: Niu, Biao; Ke, Chang-Qiang; Li, Bo-Han; Li, Yuanyuan; Yi, Yongji; Luo, Yongwei; Shuai, Lin; Yao, Sheng; Lin, Li-Gen; Li, Jia; Ye, Yang
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 5
• Pages of publication: 1428 - 1435
• a: 14.9136 ± 0.0006 Å
• b: 14.9888 ± 0.0006 Å
• c: 22.7918 ± 0.0009 Å
• α: 97.926 ± 0.002°
• β: 93.125 ± 0.002°
• γ: 114.454 ± 0.002°
• Cell volume: 4558.1 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.213
• Weighted residual factors for all reflections included in the refinement: 0.2199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No