Information card for entry 1530393

Structure parameters

• Formula: C34 H54 O6
• Calculated formula: C34 H54 O6
• SMILES: O=C(O)C(=C\[C@@H](O)C[C@H]([C@@H]1C(=C)[C@@H]2C[C@H]3[C@@]4([C@H](C([C@H](OC(=O)C)CC4)(C)C)CC=C3[C@@]2(CC1)C)C)C)\C.OCC
• Title of publication: Kadcoccinones A-F, New Biogenetically Related Lanostane-Type Triterpenoids with Diverse Skeletons from Kadsura coccinea.
• Authors of publication: Hu, Zheng-Xi; Shi, Yi-Ming; Wang, Wei-Guang; Li, Xiao-Nian; Du, Xue; Liu, Miao; Li, Yan; Xue, Yong-Bo; Zhang, Yong-Hui; Pu, Jian-Xin; Sun, Han-Dong
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 18
• Pages of publication: 4616 - 4619
• a: 7.9562 ± 0.0003 Å
• b: 33.6801 ± 0.0014 Å
• c: 12.617 ± 0.0005 Å
• α: 90°
• β: 107.429 ± 0.002°
• γ: 90°
• Cell volume: 3225.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0701
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No