Ligurobustoside M

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Properties Simple | Detailed

Formula C26H40O15
IUPAC Name 4-ethynylcyclohexa-2,5-dien-1-one; 2-[(1s)-1-[(1s,2s)-1-methyl-3-oxo-2-[(1s)-2-oxo-1-vinyloxy-ethoxy]propoxy]-2-oxo-ethoxy]propanedial; oxaldehyde; 2-oxovinyl formate
Molecular Mass 592.587 g·mol−1
Heat of Formation -2784.1 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 675.89 Å 3
Surface Area 540.91 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4r,5r,6s)-2-[(2s,3r,4s,5r,6s)-6-[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-4-yl]oxy-4,5-dihydroxy-2-methyl-oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol
  • (2s,3r,4r,5r,6s)-2-[(2s,3r,4s,5r,6s)-6-[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-4-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
  • (2s,3r,4r,5r,6s)-2-[(2s,3r,4s,5r,6s)-6-[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]tetrahydropyran-4-yl]oxy-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol
  • (2s,3r,4r,5r,6s)-2-[(2s,3r,4s,5r,6s)-6-[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-(4-hydroxyphenyl)ethoxy]-6-methylol-tetrahydropyran-4-yl]oxy-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol
  • (2s,3r,4r,5r,6s)-2-[[(2s,3r,4s,5r,6s)-6-[[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-tetrahydropyranyl]oxy]-4,5-dihydroxy-2-methyl-3-tetrahydropyranyl]oxy]-6-methyltetrahydropyran-3,4,5-triol
InChIKey PZNQCWWNVMGWAG-MWLFWLFYSA-N
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