Neoponcirin

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Properties Simple | Detailed

Formula C18H4O14
IUPAC Name carbon dioxide; [4-hydroxy-1-(oxomethylene)but-3-ynyl] 2,3,4-trioxo-6-(2,3,4-trioxohex-5-ynoyloxy)hex-5-ynoate
Molecular Mass 444.216 g·mol−1
Heat of Formation -2380.6 ± 16.7 kJ·mol−1
Dipole Moment 8.20 ± 1.08 D
Volume 649.5 Å 3
Surface Area 536.91 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-hydroxy-2-(4-methoxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chroman-4-one
  • (2s)-5-hydroxy-2-(4-methoxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one
  • (2s)-5-hydroxy-2-(4-methoxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychroman-4-one
  • (2s)-5-hydroxy-2-(4-methoxyphenyl)-7-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromanone
  • didymin
InChIKey RMCRQBAILCLJGU-HIBKWJPLSA-N
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