Information card for entry 1552597

Structure parameters

• Formula: C32 H38 O10
• Calculated formula: C32 H38 O10
• SMILES: [C@@H]12[C@]3([C@H]([C@@]([C@@H]([C@](C=C4[C@@H]3CC[C@@]3(C4=CC(=O)O[C@H]3c3cocc3)C)(O2)O)OC(=O)C(=C\C)\C)(C)C1)[C@H](C(=O)OC)O)C
• Title of publication: Secophragmalin-Type Limonoids from <i>Trichilia connaroides</i>: Isolation, Semisynthesis, and Their Cytotoxic Activities.
• Authors of publication: Solipeta, Divya Reddy; Bandi, Siva; Vemulapalli, Sahithya Phani Babu; Pallavi, Preethi M. C.; Vemireddy, Sravanthi; Balasubramania, Sridhar; Mahabalarao, Sampath Kumar H.; Katragadda, Suresh Babu
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 10
• Pages of publication: 2731 - 2743
• a: 7.43158 ± 0.0001 Å
• b: 12.64114 ± 0.00017 Å
• c: 16.6155 ± 0.0002 Å
• α: 68.6576 ± 0.0004°
• β: 84.8142 ± 0.0004°
• γ: 83.4169 ± 0.0004°
• Cell volume: 1442.29 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No