Methyl 5-beta-cholan-3,7-dione-24-oate
methyl 4-(10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
Also Known As: Methyl 5-beta-cholan-3,7-dione-24-oate|Urosodeoxycholic Acid EP Impurity Q|3-Oxo-7b-hydroxy-5b-cholanoic acid|Methyl 3,7-dioxocholan-24-oate|Methyl 5-.beta.-cholan-3,7-dione-24-oate|methyl 4-(10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate|5|A-Cholanic acid 3,7-dione methyl ester|5beta-Cholanic acid 3,7-dione methyl ester|Cholan-24-oic acid,7-hydroxy-3-oxo-, (5b,7b)-|Cholan-24-oic acid,7-hydroxy-3-oxo-,(5b,7b)|SureCN3219278, 5|A-Cholanic acid 3,7-dione methyl ester, 7753-72-2|N/A
| Molecular Formula | C25H38O4 |
|---|---|
| Molecular Weight | 402.277 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.277 |
| Monoisotopic Mass | 402.277 |
| Heavy Atoms | 29 |
| Complexity | 699.0 |
Chemical Identifiers
| CAS Number | 7753-72-2 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(=O)C4)C)C |
| InChIKey | UZRRNRRCPZZPNY-UHFFFAOYSA-N |
Product Overview
Methyl 5-beta-cholan-3,7-dione-24-oate (CAS 7753-72-2), with molecular formula C25H38O4 and molecular weight 402.277 g/mol. IUPAC: methyl 4-(10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate.