Methyl (1S,4Ar,5S,7As)-5-Hydroxy-7-({[(Methylsulfanyl)Carbonyl]Oxy}Methyl)-1-(α-L-Talopyranosyloxy)-1,4A,5,7A-Tetrahydrocyclopenta[C]Pyran-4-Carboxylate

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Properties Simple | Detailed

Formula C19H26O12S
IUPAC Name methyl (1s,4ar,5s,7as)-5-hydroxy-7-(methylsulfanylcarbonyloxymethyl)-1-[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Molecular Mass 478.468 g·mol−1
Heat of Formation -1716.1 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 507.96 Å 3
Surface Area 401.29 Å 2
Point Group Symmetry C1
Synonyms
  • (1s,4ar,5s,7as)-5-hydroxy-7-[(methylthio)carbonyloxymethyl]-1-[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester
  • (1s,4ar,5s,7as)-5-hydroxy-7-[[(methylthio)-oxomethoxy]methyl]-1-[[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester
  • 5-hydroxy-7-methylsulfanylcarbonyloxymethyl-1-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-1,4a,5,7a-tetrahydro-cyclopenta[c]pyran-4-carboxylic acid methyl ester
  • cyclopenta[c]pyran-4-carboxylic acid, 1-(hexopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-[[[(methylthio)carbonyl]oxy]methyl]-, methyl ester, (1s,5s)-
  • methyl (1s,4ar,5s,7as)-5-hydroxy-7-(methylsulfanylcarbonyloxymethyl)-1-[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate
  • methyl (1s,4ar,5s,7as)-5-hydroxy-7-(methylsulfanylcarbonyloxymethyl)-1-[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate
  • methyl rel-(1r,5r)-1-(hexopyranosyloxy)-5-hydroxy-7-({[(methylthio)carbonyl]oxy}methyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
  • paederosidic acid methyl ester
InChIKey JNDNZIPLLDTLQK-KSXVZMDZSA-N
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