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

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Properties Simple | Detailed

Formula C16H24O9
IUPAC Name (1s,4ar,7r,7ar)-4a-hydroxy-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-carbaldehyde
Molecular Mass 360.356 g·mol−1
Heat of Formation -1593.4 ± 16.7 kJ·mol−1
Dipole Moment 6.50 ± 1.08 D
Volume 408.53 Å 3
Surface Area 330.16 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4ar,7r,7ar)-4a-hydroxy-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-carbaldehyde
  • (1s,4ar,7r,7ar)-4a-hydroxy-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-carbaldehyde
  • (1s,4ar,7r,7ar)-4a-hydroxy-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-carbaldehyde
  • (1s,4ar,7r,7ar)-4a-hydroxy-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-carboxaldehyde
  • cyclopenta(c)pyran-4-carboxaldehyde, 1-(beta-d-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-, (1s,4ar,7r,7ar)-
  • cyclopenta(c)pyran-4-carboxaldehyde, 1-(beta-d-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-, (1s-(1alpha,4aalpha,7beta,7aalpha))-
  • plantarenaloside
  • yuheinoside
CAS Number(s)
  • 72396-01-1
  • 73036-45-0
InChIKey QCCRICPXIMDIGF-FHZCTKOVSA-N
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