Information card for entry 1530391

Structure parameters

• Formula: C32 H48 O5
• Calculated formula: C32 H48 O5
• SMILES: O=C(O)/C(=C\CC[C@H]([C@@H]1[C@@]2([C@@](C3=CC[C@H]4C([C@H](OC(=O)C)CC[C@]4(C)[C@@H]3CC2=O)(C)C)(C)CC1)C)C)C
• 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: 7.3331 ± 0.0001 Å
• b: 10.1624 ± 0.0002 Å
• c: 19.3573 ± 0.0003 Å
• α: 90°
• β: 97.23°
• γ: 90°
• Cell volume: 1431.07 ± 0.04 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: 0.1036
• Residual factor for significantly intense reflections: 0.1026
• Weighted residual factors for significantly intense reflections: 0.2723
• Weighted residual factors for all reflections included in the refinement: 0.2762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.366
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No