Products 508-77-0

CAS 508-77-0 appears in our catalog under these names: Cymarin, Cymarin, 97.82%. Offered by: TRC, GLPBio, Biosynth, MedChemExpress. Available pack sizes: 10mg, 1mg, 5mg, 1000ug, 500ug, 2000ug, 10000ug, 5000ug.

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

Cymarin is a cardenolide glycoside.

Source: ChEBI

Identity
Molecular formulaC30H44O9
Molecular weight548.7 g/mol
IUPAC name(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
InChIKeyXQCGNURMLWFQJR-ZNDDOCHDSA-N
SMILESC[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O

Computed by PubChem (NCBI)