CAS 100821-86-1 is the registry number for Ethynyl Estradiol 3-Dansyl Chloride. Offered by: TRC. Available pack sizes: 100mg.
[(8R,9S,13S,14S,17S)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate (CAS 100821-86-1) is a chemical compound with the molecular formula C32H35NO4S and a molecular weight of 529.7 g/mol. IUPAC name: [(8R,9S,13S,14S,17S)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate. InChIKey: UAJGFSUMBFWTHZ-UEBKYDDZSA-N.
| Molecular formula | C32H35NO4S |
|---|---|
| Molecular weight | 529.7 g/mol |
| IUPAC name | [(8R,9S,13S,14S,17S)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate |
| InChIKey | UAJGFSUMBFWTHZ-UEBKYDDZSA-N |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(C#C)O)CCC4=C3C=CC(=C4)OS(=O)(=O)C5=CC=CC6=C5C=CC=C6N(C)C |
Computed by PubChem (NCBI)