(3Ar,4As,7S,7As,8R,9Ar)-4A,8-Dimethyl-3-Methylene-2,5-Dioxododecahydroazuleno[6,5-B]Furan-7-Yl 6-O-Acetyl-β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C23H32O10
IUPAC Name [(2r,3s,4s,5r,6r)-6-[[(3ar,5r,5as,6s,8as,9ar)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-6-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl acetate
Molecular Mass 468.494 g·mol−1
Heat of Formation -1807.3 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 543.62 Å 3
Surface Area 424.62 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4s,5r,6r)-6-[[(3ar,5r,5as,6s,8as,9ar)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-6-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl acetate
  • [(2r,3s,4s,5r,6r)-6-[[(3ar,5r,5as,6s,8as,9ar)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-6-yl]oxy]-3,4,5-trihydroxy-oxan-2-yl]methyl ethanoate
  • [(2r,3s,4s,5r,6r)-6-[[(3ar,5r,5as,6s,8as,9ar)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
  • acetic acid [(2r,3s,4s,5r,6r)-6-[[(3ar,5r,5as,6s,8as,9ar)-2,8-diketo-5,8a-dimethyl-1-methylene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[5,6-d]furan-6-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester
  • acetic acid [(2r,3s,4s,5r,6r)-6-[[(3ar,5r,5as,6s,8as,9ar)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-6-yl]oxy]-3,4,5-trihydroxy-2-tetrahydropyranyl]methyl ester
  • azuleno(6,5-b)furan-2,5-dione, 7-((6-o-acetyl-beta-d-glucopyranosyl)oxy)decahydro-4a,8-dimethyl-3-methylene-, (3ar-(3aalpha,4abeta,7alpha,7aalpha,8alpha,9aalpha))-
  • paucin
CAS Number(s)
  • 26836-43-1
InChIKey GUDGKGBWXIZDPA-ZOWPBZTMSA-N
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