7-Deacetoxy-Olepupuane

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Properties Simple | Detailed

Formula C17H26O3
IUPAC Name [(1s,5as,9as,9br)-6,6,9a-trimethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[g]isobenzofuran-1-yl] acetate
Molecular Mass 278.387 g·mol−1
Heat of Formation -644.6 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 355.88 Å 3
Surface Area 295.48 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 4.05 ± eV
Point Group Symmetry C1
Synonyms
  • 7-deacetoxyolepupuane
  • [(1s,5as,9as,9br)-6,6,9a-trimethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[g][2]benzoxol-1-yl] acetate
  • [(1s,5as,9as,9br)-6,6,9a-trimethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[g][2]benzoxol-1-yl] ethanoate
  • [(1s,5as,9as,9br)-6,6,9a-trimethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[g]isobenzofuran-1-yl] acetate
  • acetic acid [(1s,5as,9as,9br)-6,6,9a-trimethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[g]isobenzofuran-1-yl] ester
  • naphtho(1,2-c)furan-1-ol, 1,4,5,5a,6,7,8,9,9a,9b-decahydro-6,6,9a-trimethyl-, acetate, (1s-(1alpha,5aalpha,9abeta,9balpha))-
CAS Number(s)
  • 134822-40-5
InChIKey VTWFKCAENOAYPA-IVSAIRAKSA-N
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