(3S,5S,8R,9S,10S,13S,14S,17S)-17-Acetyl-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl hydrogen sulfate, sodium salt, 95%, 95%

cas: 215996-42-2 — see every product listed under this CAS number, including other names

(3S,5S,8R,9S,10S,13S,14S,17S)-17-Acetyl-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl hydrogen sulfate, sodium salt, 95%, 95% (CAS 215996-42-2) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 25mg. Offered by: Chemat.

• 2D
• 3D

Sodium [(3S,5S,10S,13S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate (CAS 215996-42-2) is a chemical compound with the molecular formula C21H33NaO5S and a molecular weight of 420.5 g/mol. IUPAC name: sodium [(3S,5S,10S,13S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate. InChIKey: DTEMMUZNTWFYGK-OUJOLINGSA-M.

Identity

Molecular formula	C21H33NaO5S
Molecular weight	420.5 g/mol
IUPAC name	sodium [(3S,5S,10S,13S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate
InChIKey	DTEMMUZNTWFYGK-OUJOLINGSA-M
SMILES	CC(=O)[C@H]1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CC[C@@H](C4)OS(=O)(=O)[O-])C)C.[Na+]

Computed by PubChem (NCBI)

Synonyms: (3beta)-Allopregnanolone Sulfate Sodium Salt, (3b)-Allopregnanolone Sulfate Sodium Salt, (3|A)-Allopregnanolone Sulfate Sodium Salt, 3|A-Hydroxy-5|A-pregnan-20-one Sulfate Sodium Salt

Isomers (same molecular formula)

sodium [(3R,8S,9S,10R,13S,14S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate C₂₁H₃₃NaO₅S