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Escin

SZ CAT No SZ-E087001
CAS No 11072-93-8
Mol.F. C55H86O24
Mol.Wt. 1131.3
Inv. Status Custom Synthesis


Chemical Name: (2S,3S,4S,5R,6R)-6-(((3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-Acetoxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(((E)-2-methylbut-2-enoyl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-4-hydroxy-5-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

Smiles: O=C([C@@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@H](O[C@H]4CC[C@]5(C)[C@@]6([H])CC=C7[C@]8([H])CC(C)(C)[C@@H](OC(/C(C)=C/C)=O)[C@H](OC(C)=O)[C@]8(CO)[C@H](O)C[C@@]7(C)[C@]6(C)CC[C@@]5([H])[C@]4(CO)C)O1)O

Inchi: InChI=1S/C6H4N4O/c7-10-9-6(11)5-1-3-8-4-2-5/h1-4H