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

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Properties Simple | Detailed

Formula C17H26O9
IUPAC Name methyl (1s,4as,7s,7ar)-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Molecular Mass 374.383 g·mol−1
Heat of Formation -1652.3 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 431.4 Å 3
Surface Area 366.3 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -0.00 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4as,7s,7ar)-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester
  • (1s,4as,7s,7ar)-7-methyl-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester
  • 7-deoxyloganin
  • deoxyloganin
  • lmpr01020106
  • methyl (1s,4as,7s,7ar)-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylate
  • methyl (1s,4as,7s,7ar)-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylate
CAS Number(s)
  • 26660-57-1
InChIKey KMHXLGLJTQHEIM-OUEWTLASSA-N
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