(3Ar,4As,5R,7Ar,8R,9As)-5,8-Dihydroxy-5,8-Dimethyl-3-Methylenedecahydroazuleno[6,5-B]Furan-2(3H)-One

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Properties Simple | Detailed

Formula C15H22O4
IUPAC Name (3as,5r,5ar,8r,8as,9ar)-5,8-dihydroxy-5,8-dimethyl-1-methylene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
Molecular Mass 266.333 g·mol−1
Heat of Formation -793.1 ± 16.7 kJ·mol−1
Dipole Moment 5.75 ± 1.08 D
Volume 330.41 Å 3
Surface Area 274.25 Å 2
HOMO Energy -10.51 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,5r,5ar,8r,8as,9ar)-5,8-dihydroxy-5,8-dimethyl-1-methylene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[5,6-d]furan-2-one
  • (3as,5r,5ar,8r,8as,9ar)-5,8-dihydroxy-5,8-dimethyl-1-methylidene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[5,6-d]furan-2-one
  • 4alpha,10alpha-dihydroxy-1beta(h),5beta(h)-guai-11(13)-en-8alpha,12-olide
  • 5,8-dihydroxy-5,8-dimethyl-3-methylene-decahydro-azuleno[6,5-b]furan-2-one
  • azuleno[6,5-b]furan-2(3h)-one, decahydro-5,8-dihydroxy-5,8-dimethyl-3-methylene-, (3ar,5r,8r,9as)-
  • rel-(3ar,5r,8r,9as)-5,8-dihydroxy-5,8-dimethyl-3-methylenedecahydroazuleno[6,5-b]furan-2(3h)-one
InChIKey WSMKPZGGGQUUQW-ZOMUANAPSA-N
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