Information card for entry 2213311

Structure parameters

• Common name: podocarpaside E
• Chemical name: 3β,15α,25-Trihydroxy-6α,19α-epidioxy- 16,23-dione-9,10-seco-9,19-cyclolanost-5(10),9(11)-diene 3-O-α-<i>L</i>-arabinopyranoside
• Formula: C35 H54 O12
• Calculated formula: C35 H54 O12
• SMILES: O([C@H]1CCC2=C(C1(C)C)[C@H]1OO[C@@H]2C2=CC[C@]3([C@]([C@@H]2C1)([C@@H](O)C(=O)[C@@H]3[C@H](C)CC(=O)CC(O)(C)C)C)C)[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O.O
• Title of publication: Revision of the structure of podocarpaside <i>E</i>, from <i>Actaea podocarpa</i>
• Authors of publication: Ali, Zulfiqar; Khan, Ikhlas A.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2101 - o2103
• a: 7.6672 ± 0.0015 Å
• b: 15.324 ± 0.003 Å
• c: 29.26 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3437.8 ± 1.2 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: 0.073
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes