Methyl (1S,4As,5R,7R,7As)-1-(β-D-Glucopyranosyloxy)-4A,5-Dihydroxy-7-Methyl-1,4A,5,6,7,7A-Hexahydrocyclopenta[C]Pyran-4-Carboxylate

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Formula C17H26O11
IUPAC Name methyl (1s,4as,5r,7r,7as)-4a,5-dihydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5,6,7,7a-tetrahydro-1h-cyclopenta[c]pyran-4-carboxylate
Molecular Mass 406.382 g·mol−1
Heat of Formation -2007.8 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 446.36 Å 3
Surface Area 373.5 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4as,5r,7r,7as)-4a,5-dihydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5,6,7,7a-tetrahydro-1h-cyclopenta[d]pyran-4-carboxylic acid methyl ester
  • (1s,4as,5r,7r,7as)-4a,5-dihydroxy-7-methyl-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-5,6,7,7a-tetrahydro-1h-cyclopenta[d]pyran-4-carboxylic acid methyl ester
  • methyl (1s,4as,5r,7r,7as)-4a,5-dihydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1h-cyclopenta[d]pyran-4-carboxylate
  • methyl (1s,4as,5r,7r,7as)-4a,5-dihydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5,6,7,7a-tetrahydro-1h-cyclopenta[d]pyran-4-carboxylate
InChIKey MLTZHVBDDNOQNM-RNLJPYGHSA-N
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