15beta-Carboxyethylmercaptodehydroepiandrosterone
3-[[(3S,10R,13S,15R)-3-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-15-yl]sulfanyl]propanoic acid
Also Known As: 15beta-Carboxyethylmercaptodehydroepiandrosterone|15 Beta-carboxyethylmercaptodehydroepiandrosterone|3-[(3-Hydroxy-17-oxoandrost-5-en-15-yl)sulfanyl]propanoic acid|3-[[(3S,10R,13S,15R)-3-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-15-yl]sulfanyl]propanoic acid|3-{[(8xi,9xi,14xi)-3beta-Hydroxy-17-oxoandrost-5-en-15beta-yl]sulfanyl}propanoic acid|Propanoic acid, 3-(((3beta,15beta)-3-hydroxy-17-oxoandrost-5-en-15-yl)thio)-|3-((3S,8R,9S,10R,13S,14S,15R)-3-Hydroxy-10,13-dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-15-ylsulfanyl)-propionic acid
| Molecular Formula | C22H32O4S |
|---|---|
| Molecular Weight | 392.20212 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.20212 |
| Monoisotopic Mass | 392.20212 |
| Heavy Atoms | 27 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 75929-63-4 |
|---|---|
| SMILES | C[C@]12CC[C@@H](CC1=CCC3C2CC[C@]4(C3[C@@H](CC4=O)SCCC(=O)O)C)O |
| InChIKey | LUPLUYWQNXGHCA-NMUCFOEPSA-N |
Product Overview
15beta-Carboxyethylmercaptodehydroepiandrosterone (CAS 75929-63-4), with molecular formula C22H32O4S and molecular weight 392.20212 g/mol. IUPAC: 3-[[(3S,10R,13S,15R)-3-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-15-yl]sulfanyl]propanoic acid.
15beta-Carboxyethylmercaptodehydroepiandrosterone is a custom synthesis product. We offer services from milligram to kilogram scale.
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