Information card for entry 7100282

Structure parameters

• Formula: C28 H48 O10
• Calculated formula: C28 H48 O10
• SMILES: C1[C@H]2[C@@H]([C@H](C[C@@H](C[C@@H](OC(=O)C[C@H]3[C@@H]([C@H](C[C@@H](C[C@@H](OC1=O)[C@@H]1C[C@H]1C)O3)O)C)[C@@H]1C[C@H]1C)O2)O)C.O.O
• Title of publication: Total synthesis of a diastereomer of the marine natural product clavosolide A
• Authors of publication: C. Willis; Conor Barry; Nick Bushby; Jonathan P. H. Charmant; Jon D. Elsworth; John R. Harding
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 20.351 ± 0.004 Å
• b: 8.802 ± 0.0018 Å
• c: 8.839 ± 0.0018 Å
• α: 90°
• β: 100.07 ± 0.03°
• γ: 90°
• Cell volume: 1558.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No