Information card for entry 2210162

Structure parameters

• Common name: Secodukunolide F
• Chemical name: methyl 2-[4-(3-furyl)-6 b,10a-dihydroxy-3a,7,9,9- tetramethyl-6,10-dioxo-2,3,3a,6b,7,8,9,10,10a,11-decahydro- 1aH,4H,6H-benzo[h][1]benzoxireno[3,2,1a-de]isochromen- 8-yl]acetate
• Formula: C27 H32 O9
• Calculated formula: C27 H32 O9
• SMILES: O=C1C([C@@H]([C@@H]([C@]2(O)[C@@]1(O)C[C@]13O[C@@H]3CC[C@@]3(C1=C2C(=O)O[C@H]3c1cocc1)C)C)CC(=O)OC)(C)C
• Title of publication: <i>seco</i>-Dukunolide F: a new tetranortriterpenoid from <i>Lansium domesticum </i>Corr.
• Authors of publication: Hoong-Kun Fun; Suchada Chantrapromma; Nawong Boonnak; Kanchuree Chaiyadej; Kan Chantrapromma; Xiao-Lan Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3725 - o3727
• a: 7.9634 ± 0.0005 Å
• b: 14.67 ± 0.0009 Å
• c: 20.542 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2399.8 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0442
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes