Information card for entry 2219015

Structure parameters

• Common name: Hoodigogenin A
• Chemical name: 12-<i>O</i>-β-tigloyl-3β,1β-dihydroxypregn-5-en-20-one
• Formula: C26 H38 O5
• Calculated formula: C26 H38 O5
• SMILES: O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2C[C@@H](OC(=O)C(=C/C)/C)[C@]2([C@]3(O)CC[C@@H]2C(=O)C)C)C1)C
• Title of publication: Hoodigogenin A from <i>Hoodia gordonii</i>
• Authors of publication: Shukla, Yatin J.; Fronczek, Frank R.; Pawar, Rahul S.; Khan, Ikhlas A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1643 - o1644
• a: 7.6523 ± 0.0009 Å
• b: 10.6885 ± 0.0012 Å
• c: 27.705 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2266 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.058
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes