Sweroside

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Properties Simple | Detailed

Formula C16H22O9
IUPAC Name (3s,4r,4as)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-vinyl-4,4a,5,6-tetrahydro-3h-pyrano[3,4-c]pyran-8-one
Molecular Mass 358.340 g·mol−1
Heat of Formation -1507.2 ± 16.7 kJ·mol−1
Dipole Moment 6.65 ± 1.08 D
Volume 402.22 Å 3
Surface Area 340.93 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,5r,6s)-5-ethenyl-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3h-pyrano[5,4-c]pyran-1-one
  • (4as,5r,6s)-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-vinyl-4,4a,5,6-tetrahydro-3h-pyrano[5,4-c]pyran-1-one
  • (4as,5r,6s)-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5-vinyl-4,4a,5,6-tetrahydro-3h-pyrano[5,4-c]pyran-1-one
  • (4as,5r,6s)-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-5-vinyl-4,4a,5,6-tetrahydro-3h-pyrano[5,4-c]pyran-1-one
  • 1h,3h-pyrano(3,4-c)pyran-1-one, 5-ethenyl-6-(beta-d-glucopyranosyloxy)-4,4a,5,6-tetrahydro-, (4as-(4aalpha,5beta,6alpha))-
  • acon0_001457
  • acon1_000233
  • megxp0_000813
CAS Number(s)
  • 14215-86-2
InChIKey VSJGJMKGNMDJCI-ZASXJUAOSA-N
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