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Chemical structure of Ouabain Octahydrate

GC10579

Ouabain Octahydrate

Also known as 3-[(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;octahydrate

Ouabain Octahydrate is a Na+/K+-ATPase inhibitor that can be used to study congestive heart failure

ChemicalCAS11018-89-6MW728.77FormulaC29H60O20
CAS number
11018-89-6
Molecular weight
728.77
Formula
C29H60O20
Solubility
≥ 19·5mg/mL in H20 with ultrasonic and warming
InChIKey
TYBARJRCFHUHSN-DMJRSANLSA-N
Catalogue number
GC10579
Brand
GLPBIO
Computed properties PubChem CID 6364534 · TPSA 215 Ų · H-bond donors 16 · H-bond acceptors 20
TPSA
215 Ų
H-bond donors
16
H-bond acceptors
20
Rotatable bonds
4
Heavy atoms
49

SMILES C[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.O.O.O.O.O.O.O.O

Computed descriptors from PubChem (CID 6364534), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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