Pregnane
(5S,8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
Also Known As: 5beta-Pregnane|Pregnane|Pregnane [MI]|5.beta.-Pregnane|5-beta-Pregnane|Pregnane, (5beta)-|17beta-Ethyletiocholane|Pregnane, (5b)-|Pregnane, (5.beta.)-|17.beta.-Ethyletiocholane|17-beta-ETHYLETIOCHOLANE|cis-9-Octadecenoic anhydride|(5S,8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene|(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene|(1S,3aS,3bS,5aS,9aS,9bS,11aR)-1-ethyl-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene|(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthrene|637-176-9
| Molecular Formula | C21H36 |
|---|---|
| Molecular Weight | 288.2817 g/mol |
| LogP | 8.4 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.2817 |
| Monoisotopic Mass | 288.2817 |
| Heavy Atoms | 21 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 24909-91-9 |
|---|---|
| SMILES | CC[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCCC4)C)C |
| InChIKey | JWMFYGXQPXQEEM-NUNROCCHSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pregnane (CAS 24909-91-9), with molecular formula C21H36 and molecular weight 288.2817 g/mol. IUPAC: (5S,8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene.