(+)-Geniposide

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Properties Simple | Detailed

Formula C17H24O10
IUPAC Name methyl (1s,4as,7as)-7-(hydroxymethyl)-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Molecular Mass 388.366 g·mol−1
Heat of Formation -1719.1 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 436.99 Å 3
Surface Area 361.79 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4as,7as)-7-(hydroxymethyl)-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester
  • (1s,4as,7as)-7-methylol-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester
  • cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-d-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, (1s,4as,7as)-
  • cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-d-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, (1s-(1alpha,4aalpha,7aalpha))-
  • geniposide
  • methyl (1s,4as,7as)-7-(hydroxymethyl)-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate
  • methyl (1s,4as,7as)-7-(hydroxymethyl)-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate
CAS Number(s)
  • 24512-63-8
  • 27745-20-6
InChIKey IBFYXTRXDNAPMM-BVTMAQQCSA-N
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