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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Meza-reyes, Socorro Bernès, Sylvain Sandoval-ramírez, Jesús Vega Báez, José Luis Ramírez Hernández, Johana |
| Description | Author Affiliation: Ramírez Hernández J ( Benemérita Universidad Autónoma de Puebla, Facultad de Ciencias Químicas, Ciudad Universitaria, Puebla, Pue. 72570, Mexico.) |
| Abstract | The structure of the title steroid [alternative name: 3β,6β-diacetoxy-5β-methyl-19-norcholest-9(10)-ene], $C_{31}H_{50}O_{4},$ confirms the generally accepted mechanism for the rearrangement of a cholestan-5α-ol derivative reported a century ago by Westphalen. The methyl group at position 10 of the starting material migrates to position 5 in the steroidal nucleus, while a $Δ^{9}$ bond is formed, as indicated by the C=C bond length of 1.347 (4) Å. The methyl transposition leaves the 5R configuration unchanged, with the methyl oriented towards the β face. During the rearrangement, the steroidal B ring experiences a conformational distortion from chair to envelope with the C atom at position 6 as the flap. In the title structure, the isopropyl group of the side chain is disordered over two positions, with occupancies of 0.733 (10) and 0.267 (10). The carbonyl O atom in the acetyl group at C3 is also disordered with an occupancy ratio of 0.62 (4):0.38 (4). |
| ISSN | 20569890 |
| e-ISSN | 16005368 |
| Journal | Acta Crystallographica Section E Structure Reports Online |
| Issue Number | Pt 12 |
| Volume Number | 68 |
| Language | English |
| Publisher | IUCr/Wiley |
| Publisher Date | 2012-12-01 |
| Publisher Place | United States |
| Access Restriction | Open |
| Subject Keyword | Crystallography |
| Content Type | Text |
| Resource Type | Article |
| Subject | Chemistry Condensed Matter Physics Materials Science |
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