5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester
methyl 4-(3-acetyloxy-12-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)pentanoate
Also Known As: 5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester|Methyl 3-acetyloxy-12-hydroxydeoxycholan-24-ate|5|A-Cholanic acid-3|A,12|A-diol 3-acetate methyl ester|3-acetyl methyldeoxycholate; Methyl 3alpha-acetoxy-12alpha-hydroxycholanate; 5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester; 3|A,12|A-Dihydroxy-5|A-cholan-24-oic acid methyl ester; methyl deoxycholate-3-acetate; 5|A-Cholanic acid-3|A,12|A-diol 3-acetate methyl ester; 3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid methyl ester; Methyl 3|A-acetoxy-12|A-hydroxycholanate;|methyl 4-(3-acetyloxy-12-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)pentanoate
| Molecular Formula | C27H44O5 |
|---|---|
| Molecular Weight | 448.31888 g/mol |
| LogP | 5.1371 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.31888 |
| Monoisotopic Mass | 448.31888 |
| Heavy Atoms | 32 |
| Complexity | 720.83527 |
Chemical Identifiers
| CAS Number | 27240-83-1 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)OC(=O)C)C)O)C |
Product Overview
5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester (CAS 27240-83-1), with molecular formula C27H44O5 and molecular weight 448.31888 g/mol. IUPAC: methyl 4-(3-acetyloxy-12-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)pentanoate.