Quabain octahydrate

PubChem Notes:

Ouabain A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE.

MediLexicon ouabain - Medical Dictionary Definition for Term 'ouabain'

[1. A glycoside and African arrow poison from ouabaio, obtained from the wood of Acocanthera ouabaio or from the seeds of Strophanthus gratus; its action is qualitatively identical to that of strophanthus and the digitalis glycosides; used for rapid digitalization; often used in pharmacologic studies because of water solubility.

Molecular Formula: C29H60O20


InChI: InChI=1/C29H44O12.8H2O/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31;;;;;;;;/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3;8*1H2/t13u,15-,16+,17u,18+,19+,21+,22?,23?,24?,25?,26u,27?,28u,29?;;;;;;;;/m0......../s1

InChIKey: InChIKey=TYBARJRCFHUHSN-KRZIWXJLBO
SMILES: CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O.O.O.O.O.O.O.O.O

Names:
    Card-20(22)-enolide, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-1,5,11,14,19-pentahydroxy-, octahydrate, (1beta,3beta,5beta,11alpha)-
    Ouabain octahydrate
    ouabain
    Quabain octahydrate
    11018-89-6
    4-[(1R,3S,9R,11R,17S)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-(3,4,5-trihydroxy-6-methyl-oxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one octahydrate

Registries:
    PubChem CID 25442
    PubChem ID 168186