Information card for entry 7100194

Structure parameters

• Formula: C22 H34 O5
• Calculated formula: C22 H34 O5
• SMILES: O[C@@H]1C2=CC3=C([C@H](O)CC[C@]3(CC[C@@]2([C@H]([C@@H]1O)C(C)C)C)C)COC(=O)C.O[C@H]1C2=CC3=C([C@@H](O)CC[C@@]3(CC[C@]2([C@@H]([C@H]1O)C(C)C)C)C)COC(=O)C
• Title of publication: A total synthesis of Guanacastepene C
• Authors of publication: G. Mehta; Kotapalli Pallavi; Jayant D. Umarye
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 9.1602 ± 0.0016 Å
• b: 10.6414 ± 0.0019 Å
• c: 12.088 ± 0.002 Å
• α: 81.181 ± 0.003°
• β: 80.027 ± 0.003°
• γ: 66.679 ± 0.003°
• Cell volume: 1061 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No