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

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Properties Simple | Detailed

Formula C27H36O12
IUPAC Name (2r,3r,4s,5s,6r)-2-[[(2s,4ar,6ar,10s,10as,10bs)-10-acetyloxy-2-(2,3-dihydrofuran-1-ium-2-ylium-3-id-4-yl)-10b-methyl-4,7-dioxo-2,4a,5,6,8,9,10,10a-octahydro-1h-benzo[f]isochromen-6a-yl]methoxy]-6-(oxidomethyl)tetrahydropyran-4,5,6-triide-3,4,5-triolate
Molecular Mass 552.568 g·mol−1
Heat of Formation -220.3 ± 16.7 kJ·mol−1
Dipole Moment 7.40 ± 1.08 D
Volume 594.1 Å 3
Surface Area 453.85 Å 2
Point Group Symmetry C1
Synonyms
  • [(2s,4ar,6ar,10s,10as,10bs)-2-(3-furyl)-10b-methyl-4,7-dioxo-6a-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-2,4a,5,6,8,9,10,10a-octahydro-1h-benzo[f]isochromen-10-yl] acetate
  • [(2s,4ar,6ar,10s,10as,10bs)-2-furan-3-yl-10b-methyl-4,7-dioxo-6a-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4a,5,6,8,9,10,10a-octahydro-1h-benzo[f]isochromen-10-yl] acetate
  • [(2s,4ar,6ar,10s,10as,10bs)-2-furan-3-yl-10b-methyl-4,7-dioxo-6a-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4a,5,6,8,9,10,10a-octahydro-1h-benzo[f]isochromen-10-yl] ethanoate
  • acetic acid [(2s,4ar,6ar,10s,10as,10bs)-2-(3-furyl)-10b-methyl-4,7-dioxo-6a-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-2,4a,5,6,8,9,10,10a-octahydro-1h-benzo[f]isochromen-10-yl] ester
  • acetic acid [(2s,4ar,6ar,10s,10as,10bs)-2-(3-furyl)-4,7-diketo-10b-methyl-6a-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-2,4a,5,6,8,9,10,10a-octahydro-1h-benzo[f]isochromen-10-yl] ester
InChIKey OZBWLDZUMGKCEP-JWXWVHOGSA-N
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