Information card for entry 1505232

Structure parameters

• Common name: gymnasterone D
• Formula: C28 H38 O2
• Calculated formula: C28 H38 O2
• SMILES: C1CC(=O)C=C2C=CC3=C4[C@](CC[C@@H]3[C@@]12C)([C@H](CC4=O)[C@H](C)/C=C/[C@@H](C(C)C)C)C
• Title of publication: Variation in cytostatic constituents of a sponge-derived Gymnascella dankaliensis by manipulating the carbon source.
• Authors of publication: Amagata, Taro; Tanaka, Makoto; Yamada, Takeshi; Doi, Mitsunobu; Minoura, Katsuhiko; Ohishi, Hirofumi; Yamori, Takao; Numata, Atsushi
• Journal of publication: Journal of natural products
• Year of publication: 2007
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 1731 - 1740
• a: 22.038 ± 0.006 Å
• b: 34.524 ± 0.01 Å
• c: 6.446 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4904 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1966
• Residual factor for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections: 0.3157
• Weighted residual factors for significantly intense reflections: 0.23
• Goodness-of-fit parameter for all reflections: 1.168
• Goodness-of-fit parameter for significantly intense reflections: 1.284
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No