Estrone-d4 3-Sulfate Sodium Salt

cas: 285979-80-8 — see every product listed under this CAS number, including other names

Estrone-d4 3-Sulfate Sodium Salt (CAS 285979-80-8) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULE113
cas285979-80-8
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Structural formula: {0} (CAS {1})

Sodium [(8R,9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] sulfate (CAS 285979-80-8) is a chemical compound with the molecular formula C18H21NaO5S and a molecular weight of 376.4 g/mol. IUPAC name: sodium [(8R,9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] sulfate. InChIKey: VUCAHVBMSFIGAI-IGBMKMNFSA-M.

Identity
Molecular formulaC18H21NaO5S
Molecular weight376.4 g/mol
IUPAC namesodium [(8R,9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] sulfate
InChIKeyVUCAHVBMSFIGAI-IGBMKMNFSA-M
SMILES[2H]C1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C)C(=C1OS(=O)(=O)[O-])[2H].[Na+]

Computed by PubChem (NCBI)

Synonyms: Sodium 17-oxo(2,4,16,16-~2~H_4_)estra-1,3,5(10)-trien-3-yl sulfate, Estrone sulfate-d4 (sodium), Sodium Estrone-2,4,16,16-d4 Sulfate (Stabilized with TRIS, 50% w/w), orb2299755
Related forms of this compound
sodium [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate C18H21NaO5S
sodium [(13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate C18H21NaO5S
Isomers (same molecular formula)
sodium [(9S,13S,14S,17R)-17-hydroxy-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-yl] sulfate C18H21NaO5S
sodium [(9S,13S,14S,17S)-17-hydroxy-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-yl] sulfate C18H21NaO5S
sodium [(9S,13S,14S,17S)-2,4,16,16-tetradeuterio-17-hydroxy-13-methyl-9,11,12,14,15,17-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate C18H21NaO5S

Also listed as

Sodium Estrone-2,4,16,16-d4 Sulfate (Stabilized with TRIS, 50% w/w), >95% (HPLC) TRC CAS 285979-80-8
Sodium Estrone-2,4,16,16-d4 Sulfate (Stabilized with TRIS, 50% w/w), 98 atom % D, min 98% Chemical Purity CDN CAS 285979-80-8
ESTRONE-2,4,16,16-D4 3-SULFATE SODIUM S& Sigma-Aldrich CAS 285979-80-8
Estrone sulfate-d4 (sodium), 99.39% MedChemExpress CAS 285979-80-8