Methyl (1S,4aS,5S,7aS)-5-hydroxy-7-((((methylthio)carbonyl)oxy)methyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate, ≥98%, ≥98%

cas: 122413-01-8 — see every product listed under this CAS number, including other names

Methyl (1S,4aS,5S,7aS)-5-hydroxy-7-((((methylthio)carbonyl)oxy)methyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate, ≥98%, ≥98% (CAS 122413-01-8) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, 25mg. Offered by: Chemat.

• 2D
• 3D

Methyl (1S,4aS,5S,7aS)-5-hydroxy-7-(methylsulfanylcarbonyloxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate (CAS 122413-01-8) is a chemical compound with the molecular formula C19H26O12S and a molecular weight of 478.5 g/mol. IUPAC name: methyl (1S,4aS,5S,7aS)-5-hydroxy-7-(methylsulfanylcarbonyloxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate. InChIKey: JNDNZIPLLDTLQK-DILZHRMZSA-N.

Identity

Molecular formula	C19H26O12S
Molecular weight	478.5 g/mol
IUPAC name	methyl (1S,4aS,5S,7aS)-5-hydroxy-7-(methylsulfanylcarbonyloxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
InChIKey	JNDNZIPLLDTLQK-DILZHRMZSA-N
SMILES	COC(=O)C1=CO[C@H]([C@H]2[C@@H]1[C@H](C=C2COC(=O)SC)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: Paederosidic acid methyl ester, Methyl paederosidate, orb1219682, orb1303409