Information card for entry 1547336

Structure parameters

• Formula: C30 H46 O4
• Calculated formula: C30 H46 O4
• SMILES: OC(=O)CC[C@@]1([C@@H](C(=C)C)CC=C2[C@H]1CC[C@]1([C@]2(CC[C@@H]1[C@H](C(=O)O)CCC=C(C)C)C)C)C
• Title of publication: Bioactive Seco-Lanostane-Type Triterpenoids from the Roots of Leplaea mayombensis.
• Authors of publication: Sidjui, Lazare S.; Eyong, Kenneth O.; Hull, Kenneth G.; Folefoc, Gabriel N.; Leddet, Valérie M; Herbette, Gaëtan; Ollivier, Evelyne; Taube, Joseph; Klausmeyer, Kevin; Romo, Daniel
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 10
• Pages of publication: 2644 - 2651
• a: 16.1809 ± 0.0012 Å
• b: 6.7481 ± 0.0004 Å
• c: 16.4245 ± 0.0013 Å
• α: 90°
• β: 116.917 ± 0.003°
• γ: 90°
• Cell volume: 1599.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1013
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No