18-Deoxyaldosterone
(2S,5S,6S,14R,15S,16S)-2-(2-hydroxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadec-9-en-11-one
Also Known As: 18-Deoxyaldosterone|KST-1A3542|21-hydroxy-11 beta,18-oxido-4-pregnene-3,20-dione|21-Hydroxy-11beta,18-oxido-4-pregnene-3,20-dione|(11|A,13xi)-21-hydroxy-11,18-epoxypregn-4-ene-3,20-dione|(11beta)-11,18-Epoxy-21-hydroxypregn-4-ene-3,20-dione|(11 beta)-11,18-epoxy-21-hydroxypregn-4-ene-3,20- dione|(2S,5S,6S,14R,15S,16S)-2-(2-hydroxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadec-9-en-11-one
| Molecular Formula | C21H28O4 |
|---|---|
| Molecular Weight | 344.19876 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.19876 |
| Monoisotopic Mass | 344.19876 |
| Heavy Atoms | 25 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 2956-40-3 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@@H]4CC5([C@H]3CC[C@@H]5C(=O)CO)CO4 |
| InChIKey | ZEBLTAXSHAKMDJ-QBSCYWOBSA-N |
Product Overview
18-Deoxyaldosterone (CAS 2956-40-3), with molecular formula C21H28O4 and molecular weight 344.19876 g/mol. IUPAC: (2S,5S,6S,14R,15S,16S)-2-(2-hydroxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadec-9-en-11-one.