(1S,4As,5R,7S,7Ar)-4A,5,7-Trihydroxy-7-Methyl-1,4A,5,6,7,7A-Hexahydrocyclopenta[C]Pyran-1-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C15H24O10
IUPAC Name (1s,4as,5r,7s,7ar)-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol
Molecular Mass 364.345 g·mol−1
Heat of Formation -1841.0 ± 16.7 kJ·mol−1
Dipole Moment 2.28 ± 1.08 D
Volume 401.73 Å 3
Surface Area 331.68 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4as,5r,7s,7ar)-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol
  • (1s,4as,5r,7s,7ar)-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol
  • (1s,4as,5r,7s,7ar)-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol
  • (1s,4as,5r,7s,7ar)-7-methyl-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol
  • (1s-(1alpha,4aalpha,5alpha,7alpha,7aalpha))-1,4a,5,6,7,7a-hexahydro-4a,5,7-trihydroxy-7-methylcyclopenta(c)pyran-1-yl beta-d-glucopyranoside
  • harpagide
CAS Number(s)
  • 6926-08-5
InChIKey XUWSHXDEJOOIND-YYDKPPGPSA-N
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