Loniceroside

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Properties Simple | Detailed

Formula C17H24O10
IUPAC Name methyl (2s,3r,4s)-4-(2-oxoethyl)-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-vinyl-3,4-dihydro-2h-pyran-5-carboxylate
Molecular Mass 388.366 g·mol−1
Heat of Formation -1670.1 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 444.88 Å 3
Surface Area 373.9 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-secologanin
  • (4s,5r,6s)-4-(2-ketoethyl)-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5-vinyl-5,6-dihydro-4h-pyran-3-carboxylic acid methyl ester
  • (4s,5r,6s)-4-(2-oxoethyl)-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-5-vinyl-5,6-dihydro-4h-pyran-3-carboxylic acid methyl ester
  • 3-ethenyl-2-(beta-d-glucopyranosyloxy)-3,4-dihydro-4-(2-oxoethyl)-2h-pyran-5-carboxylic acid, methyl ester
  • methyl (2s,3r,4s)-2-(beta-d-glucopyranosyloxy)-4-(2-oxoethyl)-3-vinyl-3,4-dihydro-2h-pyran-5-carboxylate
  • methyl (2s,3r,4s)-4-(formylmethyl)-2-(beta-d-glucopyranosyloxy)-3,4-dihydro-3-vinyl-2h-pyran-5-carboxylate
  • methyl (4s,5r,6s)-5-ethenyl-4-(2-oxoethyl)-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-4h-pyran-3-carboxylate
  • scg
InChIKey CSKKDSFETGLMSB-NRZPKYKESA-N
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