Products 630-60-4

CAS 630-60-4 appears in our catalog under these names: Ouabain, Ouabain - anhydrous. Offered by: TRC, Biosynth. Available pack sizes: 10mg, 1mg, 50mg, 250mg, 100mg, 500mg, 2000mg, 1000mg.

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

Ouabain is a steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na+/K+-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus. It has a role as an anti-arrhythmia drug, a cardiotonic drug, an EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor, an ion transport inhibitor, an EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor, a plant metabolite, an EC 2.3.3.1 [citrate (Si)-synthase] inhibitor and an EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor. It is an 11alpha-hydroxy steroid, a steroid hormone, an alpha-L-rhamnoside, a 14beta-hydroxy steroid, a cardenolide glycoside and a 5beta-hydroxy steroid. It is a conjugate acid of an ouabain(1-).

Source: ChEBI

Identity
Molecular formulaC29H44O12
Molecular weight584.7 g/mol
IUPAC name3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
InChIKeyLPMXVESGRSUGHW-HBYQJFLCSA-N
SMILESC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O

Computed by PubChem (NCBI)