Information card for entry 4110460

Structure parameters

• Formula: C30 H36 N2 O3
• Calculated formula: C30 H36 N2 O3
• SMILES: O1[C@]23C(=CC4=CC[C@]5([C@@H](CC[C@@H]5c5cc6cnccc6cc5)[C@]14CC2)C)[C@@H](O)[C@H](O)[C@@H](N(C)C)C3
• Title of publication: Cortistatins A, B, C, and D, Anti-angiogenic Steroidal Alkaloids, from the Marine Sponge Corticium simplex
• Authors of publication: Shunji Aoki; Yasuo Watanabe; Mami Sanagawa; Andi Setiawan; Naoyuki Kotoku; Motomasa Kobayashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 3148 - 3149
• a: 15.64 ± 0.005 Å
• b: 9.128 ± 0.003 Å
• c: 17.615 ± 0.006 Å
• α: 90°
• β: 97.83 ± 0.02°
• γ: 90°
• Cell volume: 2491.3 ± 1.4 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.5419 Å
• Diffraction radiation type: CuK\/Ya
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No