Information card for entry 2017003

Structure parameters

• Common name: Lupulin D
• Chemical name: 15α-methoxydihydroclerodin
• Formula: C25 H38 O8
• Calculated formula: C25 H38 O8
• SMILES: CO[C@H]1C[C@H]2[C@@H](O1)O[C@@H](C2)[C@@]1(C)[C@H](C)C[C@@H]([C@@]2([C@@H]1CCC[C@@]12CO1)COC(=O)C)OC(=O)C
• Title of publication: Lupulin structures revisited
• Authors of publication: Molins, Elies; Coll, Josep
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: e11 - e12
• a: 10.114 ± 0.003 Å
• b: 11.289 ± 0.004 Å
• c: 21.103 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2409.5 ± 1.5 ų
• 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 significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.037
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No