(3Ar,5S,7S,8Ar,9Ar)-7-Hydroxy-5,8A-Dimethyl-3-Methylene-3A,5,6,7,8,8A,9,9A-Octahydronaphtho[2,3-B]Furan-2(3H)-One

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Properties Simple | Detailed

Formula C15H20O3
IUPAC Name (3ar,5s,7s,8ar,9ar)-7-hydroxy-5,8a-dimethyl-3-methylene-5,6,7,8,9,9a-hexahydro-3ah-benzo[f]benzofuran-2-one
Molecular Mass 248.317 g·mol−1
Heat of Formation -514.1 ± 16.7 kJ·mol−1
Dipole Moment 2.94 ± 1.08 D
Volume 310.06 Å 3
Surface Area 257.48 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,5s,7s,8ar,9ar)-7-hydroxy-5,8a-dimethyl-3-methylene-5,6,7,8,9,9a-hexahydro-3ah-benzo[f]benzofuran-2-one
  • (3ar,5s,7s,8ar,9ar)-7-hydroxy-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3ah-benzo[f][1]benzoxol-2-one
  • (3ar-(3aalpha,5beta,7alpha,8abeta,9aalpha))-3a,5,6,7,8,8a,9,9a-octahydro-7-hydroxy-5,8a-dimethyl-3-methylenenaphtho(2,3-b)furan-2(3h)-one
  • 2-hydroxyalantolactone
  • acon1_001960
  • megxp0_001639
  • naphtho(2,3-b)furan-2(3h)-one, 3a,5,6,7,8,8a,9,9a-octahydro-7-hydroxy-5,8a-dimethyl-3-methylene-, (3ar-(3aalpha,5beta,7alpha,8abeta,9aalpha))-
CAS Number(s)
  • 68776-45-4
InChIKey FZSKLHDEGWSLTB-ATYMOLOSSA-N
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