(17beta)-3-Oxoandrost-4-ene-17-carboxylic acid
(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylic acid
Also Known As: Etienic acid|3-Keto-4-etiocholenic acid|AOBCA|4-Androsten-3-one-5-ene-17-carboxylic acid|AD-ACID|Finasteride Impurity 14|Finasteride Impurity 39|17beta-carboxyandrost-4-en-3-one|3-Oxo-4-androstene-17beta-carboxylic acid|3-oxoandrost-4-ene-17beta-carboxylic acid|Testosterone 17-beta-carboxylic acid|Testosterone 17|A-Carboxylic Acid|Testosterone-17beta-carboxylic acid|4-Androsten-3-one-17beta-carboxylic acid|Testosterone 17b-Carboxylic Acid|Testosterone-17|_-carboxylic acid|3-Oxo-4-Androstene-17-Carboxylicacid|EX-A1948|Tox21_113782|3-Oxo-4-androstene-17-beta-carboxylic acid|AC-6217|AL-3793
| Molecular Formula | C20H28O3 |
|---|---|
| Molecular Weight | 316.20386 g/mol |
| LogP | 4.22 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.20386 |
| Heavy Atoms | 23 |
| Complexity | 591.7 |
Chemical Identifiers
| CAS Number | 302-97-6 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)O)CCC4=CC(=O)CC[C@]34C |
Product Overview
(17beta)-3-Oxoandrost-4-ene-17-carboxylic acid (CAS 302-97-6), with molecular formula C20H28O3 and molecular weight 316.20386 g/mol. IUPAC: (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylic acid.
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