Dendronobiloside A

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Properties Simple | Detailed

Formula C27H32O12
IUPAC Name (2r,3s)-2-[[(1s,3ar,4r,5r,7as)-5-isopropyl-7a-methyl-1-[[(1r)-1-[2-oxido-3-oxo-1-(oxomethylene)allyloxy]-2-oxo-ethoxy]methyl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]methoxy]-4,5-dioxo-6-(oxomethylene)tetrahydropyran-3-olate
Molecular Mass 548.536 g·mol−1
Heat of Formation -2417.3 ± 16.7 kJ·mol−1
Dipole Moment 1.99 ± 1.08 D
Volume 682.92 Å 3
Surface Area 539.98 Å 2
HOMO Energy -10.36 ± 0.55 eV
LUMO Energy 4.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s,6r)-2-[[(1s,3ar,4r,5r,7as)-5-isopropyl-7a-methyl-1-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[[(1s,3ar,4r,5r,7as)-5-isopropyl-7a-methyl-1-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[[(1s,3ar,4r,5r,7as)-5-isopropyl-7a-methyl-1-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]methoxy]-6-methylol-tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[[(1s,3ar,4r,5r,7as)-7a-methyl-5-propan-2-yl-1-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChIKey BZZQPBIRQSCVAL-QSTLOTDISA-N
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