5-beta-Pregnane-3-alpha,20-alpha,21-triol
1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethane-1,2-diol
Also Known As: (3alpha,5beta)-Pregnane-3,20,21-triol|5-BETA-PREGNANE-3-ALPHA,20-ALPHA,21-TRIOL|5-BETA-PREGNANE-3-ALPHA,20-BETA,21-TRIOL|1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethane-1,2-diol|1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-Hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethane-1,2-diol
| Molecular Formula | C21H36O3 |
|---|---|
| Molecular Weight | 336.26645 g/mol |
| LogP | 3.3594 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.26645 |
| Monoisotopic Mass | 336.26645 |
| Heavy Atoms | 24 |
| Complexity | 479.7043 |
Chemical Identifiers
| CAS Number | 2041-77-2 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2CCC4(C3CCC4C(CO)O)C)O |
Product Overview
5-beta-Pregnane-3-alpha,20-alpha,21-triol (CAS 2041-77-2), with molecular formula C21H36O3 and molecular weight 336.26645 g/mol. IUPAC: 1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethane-1,2-diol.