(2S,4Ar,6As,7R,9S,10R,10Ar,10Bs)-2-(3-Furyl)-7-(β-D-Glucopyranosyloxy)-9-Hydroxy-10B-Methyl-4-Oxododecahydro-2H-Benzo[F]Isochromen-10-Yl Acetate

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Formula C26H36O12
IUPAC Name [(2s,4ar,6as,7r,9s,10r,10ar,10bs)-2-(2,3-dihydrofuran-1-ium-2-ylium-3-id-4-yl)-7-[(1r)-1-[2,3-dioxo-1-(oxomethylene)propoxy]-2-oxo-ethoxy]-9-hydroxy-10b-methyl-4-oxo-2,4a,5,6,6a,7,8,9,10,10a-decahydro-1h-benzo[f]isochromen-10-yl] acetate
Molecular Mass 540.557 g·mol−1
Heat of Formation -2183.9 ± 16.7 kJ·mol−1
Dipole Moment 5.41 ± 1.08 D
Volume 617.56 Å 3
Surface Area 438.46 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 3.32 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,4ar,6as,7r,9s,10r,10ar,10bs)-2-(3-furyl)-9-hydroxy-10b-methyl-4-oxo-7-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,4a,5,6,6a,7,8,9,10,10a-decahydro-1h-benzo[f]isochromen-10-yl] acetate
  • [(2s,4ar,6as,7r,9s,10r,10ar,10bs)-2-furan-3-yl-9-hydroxy-10b-methyl-4-oxo-7-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4a,5,6,6a,7,8,9,10,10a-decahydro-1h-benzo[f]isochromen-10-yl] acetate
  • [(2s,4ar,6as,7r,9s,10r,10ar,10bs)-2-furan-3-yl-9-hydroxy-10b-methyl-4-oxo-7-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4a,5,6,6a,7,8,9,10,10a-decahydro-1h-benzo[f]isochromen-10-yl] ethanoate
  • acetic acid [(2s,4ar,6as,7r,9s,10r,10ar,10bs)-2-(3-furyl)-9-hydroxy-10b-methyl-4-oxo-7-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2,4a,5,6,6a,7,8,9,10,10a-decahydro-1h-benzo[f]isochromen-10-yl] ester
  • acetic acid [(2s,4ar,6as,7r,9s,10r,10ar,10bs)-2-(3-furyl)-9-hydroxy-4-keto-10b-methyl-7-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2,4a,5,6,6a,7,8,9,10,10a-decahydro-1h-benzo[f]isochromen-10-yl] ester
InChIKey WAJJNHUEVQGAOS-DPAXXLBTSA-N
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