Cortisol-17 acid
(8S,9S,10R,11S,13S,14S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
Also Known As: Cortisol-17 acid|KST-1A4661|(11|A)-11,17-dihydroxy-3-oxoandrost-4-ene-17-carboxylic acid|(8S,9S,10R,11S,13S,14S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
CAS: 3597-45-3
| Molecular Formula | C20H28O5 |
|---|---|
| Molecular Weight | 348.19366 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.19366 |
| Monoisotopic Mass | 348.19366 |
| Heavy Atoms | 25 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 3597-45-3 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC4(C(=O)O)O)C)O |
| InChIKey | XNZSRYSTBKQWGZ-HJSFSJJBSA-N |
Product Overview
Cortisol-17 acid (CAS 3597-45-3), with molecular formula C20H28O5 and molecular weight 348.19366 g/mol. IUPAC: (8S,9S,10R,11S,13S,14S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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