Products 151891-06-4

CAS 151891-06-4 is the registry number for Cholesterol Impurity 16 Sulfate Sodium Salt. Offered by: Chemat Brand. Available pack sizes: on request.

Cholesterol Impurity 16 Sulfate Sodium Salt
Chemat Brand
  • size: on request
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

Sodium [(3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate (CAS 151891-06-4) is a chemical compound with the molecular formula C27H45NaO4S and a molecular weight of 488.7 g/mol. IUPAC name: sodium [(3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate. InChIKey: KEKMKJKUZUSFNQ-DDWWKONCSA-M.

Identity
Molecular formulaC27H45NaO4S
Molecular weight488.7 g/mol
IUPAC namesodium [(3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate
InChIKeyKEKMKJKUZUSFNQ-DDWWKONCSA-M
SMILESC[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)OS(=O)(=O)[O-])C)C.[Na+]

Computed by PubChem (NCBI)

Isomers (same molecular formula)
sodium [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate C27H45NaO4S
sodium [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate C27H45NaO4S