[(3R,3Ar,6Ar,8S,9Ar,9Br)-3,8-Dihydroxy-6,9-Bis(Methylene)-2-Oxododecahydroazuleno[4,5-B]Furan-3-Yl]Methyl Acetate

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Properties Simple | Detailed

Formula C17H22O6
IUPAC Name [(3r,3ar,6ar,8s,9ar,9br)-3,8-dihydroxy-6,9-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-3-yl]methyl acetate
Molecular Mass 322.353 g·mol−1
Heat of Formation -1022.1 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 376.93 Å 3
Surface Area 309.52 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy 0.80 ± eV
Point Group Symmetry C1
Synonyms
  • [(3r,3ar,6ar,8s,9ar,9br)-3,8-dihydroxy-6,9-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-3-yl]methyl acetate
  • [(3r,3ar,6ar,8s,9ar,9br)-3,8-dihydroxy-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-3-yl]methyl acetate
  • [(3r,3ar,6ar,8s,9ar,9br)-3,8-dihydroxy-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-3-yl]methyl ethanoate
  • acetic acid [(3r,3ar,6ar,8s,9ar,9br)-3,8-dihydroxy-2-keto-6,9-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-3-yl]methyl ester
  • acetic acid [(3r,3ar,6ar,8s,9ar,9br)-3,8-dihydroxy-6,9-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-3-yl]methyl ester
  • azuleno(4,5-b)furan-2(3h)-one, 3-((acetyloxy)methyl)decahydro-3,8-dihydroxy-6,9-bis(methylene)-, (3r-(3alpha,3aalpha,6aalpha,8beta,9aalpha,9bbeta))-
  • solstitialin a 13-acetate
InChIKey XIVYFPUTCCJWCJ-ODIPTECFSA-N
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