Products 285979-81-9

CAS 285979-81-9 appears in our catalog under these names: Equilin 3-Sulfate-d4 Sodium Salt (stabilized with TRIS, 50% w/w), Sodium Equilin-2,4,16,16-d4 Sulfate (Stabilized with TRIS, 50% w/w), 97 atom % D, min 95% Chemical Purity, Equilin 3-Sulfate-d4 (sodium salt), 95.03%. Offered by: TRC, CDN, MedChemExpress. Available pack sizes: 10mg, 1mg, 0,02g, 0,01g, 1 mg, 5 mg.

Structural formula: {0} (CAS {1})

Sodium [(9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-3-yl] sulfate (CAS 285979-81-9) is a chemical compound with the molecular formula C18H19NaO5S and a molecular weight of 374.4 g/mol. IUPAC name: sodium [(9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-3-yl] sulfate. InChIKey: QTTMOCOWZLSYSV-HSWWYJIASA-M.

Identity
Molecular formulaC18H19NaO5S
Molecular weight374.4 g/mol
IUPAC namesodium [(9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-3-yl] sulfate
InChIKeyQTTMOCOWZLSYSV-HSWWYJIASA-M
SMILES[2H]C1=CC2=C(CC=C3[C@@H]2CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C)C(=C1OS(=O)(=O)[O-])[2H].[Na+]

Computed by PubChem (NCBI)