Information card for entry 2001870

Structure parameters

• Formula: C31 H50 O2
• Calculated formula: C31 H50 O2
• SMILES: CC([C@@]1(C)CC[C@@H](CO1)[C@H]1CC[C@@]2([C@]1(C)CC=C1[C@H]2CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C
• Title of publication: Determination of the stereochemistry of oxandran-3-one; a novel methyltriterpene from <i>Oxandra asbeckii</i> (Annonaceae)
• Authors of publication: Tinto, W. F.; Blair, L. C.; Lough, A. J.; McLean, S.; Reynolds, W. F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 511 - 514
• a: 7.135 ± 0.003 Å
• b: 17.639 ± 0.004 Å
• c: 21.454 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2700.1 ± 1.6 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No