Information card for entry 1548288

Structure parameters

• Formula: C23 H28 O7
• Calculated formula: C23 H28 O7
• SMILES: O1[C@H]2[C@H](OC(=O)C)[C@@H]3[C@H](Cc4occc4[C@H]3C(=O)OC)[C@]3(CCC[C@@](C1=O)([C@H]23)C)C
• Title of publication: Sucupiranins A-L, Furanocassane Diterpenoids from the Seeds of Bowdichia virgilioides.
• Authors of publication: Endo, Yuta; Kasahara, Taku; Harada, Kenicni; Kubo, Miwa; Etoh, Tadahiro; Ishibashi, Masami; Ishiyama, Aki; Iwatsuki, Masato; Otoguro, Kazuhiko; O Mura, Satoshi; Akisue, Gokithi; Hirano, Tomoya; Kagechika, Hiroyuki; Fukuyama, Yoshiyasu; Ohsaki, Ayumi
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 12
• Pages of publication: 3120 - 3127
• a: 7.764 ± 0.0007 Å
• b: 10.8733 ± 0.001 Å
• c: 24.687 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2084.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• 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 all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 3.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No