Gentiopicroside

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Properties Simple | Detailed

Formula C16H20O9
IUPAC Name (3s,4r)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-vinyl-4,6-dihydro-3h-pyrano[3,4-c]pyran-8-one
Molecular Mass 356.325 g·mol−1
Heat of Formation -1423.5 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 394.72 Å 3
Surface Area 341.4 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6s)-5-ethenyl-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-3h-pyrano[5,4-c]pyran-1-one
  • (5r,6s)-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-vinyl-5,6-dihydro-3h-pyrano[5,4-c]pyran-1-one
  • (5r,6s)-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5-vinyl-5,6-dihydro-3h-pyrano[5,4-c]pyran-1-one
  • (5r,6s)-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-5-vinyl-5,6-dihydro-3h-pyrano[5,4-c]pyran-1-one
  • (5r-trans)-6-(beta-d-glucopyranosyloxy)-5,6-dihydro-5-vinyl-1h,3h-pyrano(3,4-c)pyran-1-one
  • 1h,3h-pyrano(3,4-c)pyran-1-one, 5-ethenyl-6-(beta-d-glucopyranosyloxy)-5,6-dihydro-, (5r-trans)-
  • acon1_001284
  • gentiopicrin
  • lmpr01020110
  • megxp0_000872
CAS Number(s)
  • 20831-76-9
InChIKey DUAGQYUORDTXOR-GPQRQXLASA-N
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