Information card for entry 1545003

Structure parameters

• Formula: C59 H90 N8 O15
• Calculated formula: C59 H88 N8 O15
• SMILES: O=C1O[C@@H]([C@H](NC(=O)CC)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N3[C@H]1CCC3)Cc1ccc(O)cc1)C)CC(C)C)CCC2)C(C)C)CC(C)C)Cc1ccccc1)C.O=C(OCC)C.O=C(OCC)C.O
• Title of publication: Octaminomycins A and B, Cyclic Octadepsipeptides Active against Plasmodium falciparum.
• Authors of publication: Jang, Jun-Pil; Nogawa, Toshihiko; Futamura, Yushi; Shimizu, Takeshi; Hashizume, Daisuke; Takahashi, Shunji; Jang, Jae-Hyuk; Ahn, Jong Seog; Osada, Hiroyuki
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 1
• Pages of publication: 134 - 140
• a: 11.152 ± 0.0008 Å
• b: 16.7802 ± 0.0012 Å
• c: 35.226 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6591.9 ± 0.9 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• 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: 0.1916
• Residual factor for significantly intense reflections: 0.1145
• Weighted residual factors for significantly intense reflections: 0.2633
• Weighted residual factors for all reflections included in the refinement: 0.2857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.522
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No