Information card for entry 1548287

Structure parameters

• Formula: C22 H32 O5
• Calculated formula: C22 H32 O5
• SMILES: C1CCC([C@@H]2[C@H]([C@@H]([C@H]3[C@](c4c(C[C@@H]3[C@@]12C)occ4)(C)O)O)OC(=O)C)(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: 6.662 ± 0.0006 Å
• b: 11.5786 ± 0.0011 Å
• c: 25.333 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1954.1 ± 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: 0.0497
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 2.555
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK/a
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No