Information card for entry 2210104

Structure parameters

• Common name: Farnasiaside
• Chemical name: (1S,3aR,5aR,6S,6aR,7S,9R,11aS,11bR,11cS)-7- (beta-D-glucopyranosyloxy)dodecahydro-1,6- dihydroxy-3a,11b-dimethyl-8-methylene-1H- 6a,9-Methanocyclohept[2,3]indeno[4,5-c] furan-3(3aH)-one
• Formula: C26 H38 O10
• Calculated formula: C26 H38 O10
• SMILES: [C@@H]12CC[C@]3([C@H]([C@@H](OC3=O)O)[C@]2([C@@H]2[C@]3([C@@H]1O)C[C@H](CC2)C(=C)[C@H]3O[C@@H]1[C@H]([C@@H]([C@H]([C@H](CO)O1)O)O)O)C)C
• Title of publication: Farnesiaside, a new diterpene glycoside
• Authors of publication: Bhattacharyya, Kinkini; Kar, Tanusree; Bocelli, Gabriele; Banerjee, Sukdeb; Mondal, Nirup Bikash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4007 - o4009
• a: 11.691 ± 0.002 Å
• b: 9.336 ± 0.003 Å
• c: 12.37 ± 0.002 Å
• α: 90°
• β: 114.82 ± 0.03°
• γ: 90°
• Cell volume: 1225.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0304
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes