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Chemical structure of Cymarin

GC67230

Cymarin

Also known as (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-(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

Cymarin, a cardiac glycoside, potently inhibits the Palytoxin (PTX)-induced K+ release (IC50=0·42 μM)

ChemicalCAS508-77-0MW548.66FormulaC30H44O9
CAS number
508-77-0
Molecular weight
548.66
Formula
C30H44O9
InChIKey
XQCGNURMLWFQJR-CISXATDNSA-N
Catalogue number
GC67230
Brand
GLPBIO
Computed properties PubChem CID 222155 · XLogP 0.8 · TPSA 132 Ų · H-bond donors 3
XLogP
0.8
TPSA
132 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
39

SMILES CC1C(C(CC(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 descriptors from PubChem (CID 222155), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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