(4S,5S,5As,9As)-4-Hydroxy-6,6,9A-Trimethyl-3-Oxo-1,3,4,5,5A,6,7,8,9,9A-Decahydronaphtho[1,2-C]Furan-5-Yl Acetate

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Properties Simple | Detailed

Formula C17H24O5
IUPAC Name [(4s,5s,5as,9as)-4-hydroxy-6,6,9a-trimethyl-3-oxo-4,5,5a,7,8,9-hexahydro-1h-benzo[e]isobenzofuran-5-yl] acetate
Molecular Mass 308.369 g·mol−1
Heat of Formation -956.3 ± 16.7 kJ·mol−1
Dipole Moment 6.32 ± 1.08 D
Volume 372.73 Å 3
Surface Area 294.43 Å 2
HOMO Energy -10.44 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • [(4s,5s,5as,9as)-4-hydroxy-6,6,9a-trimethyl-3-oxo-4,5,5a,7,8,9-hexahydro-1h-benzo[g][2]benzoxol-5-yl] acetate
  • [(4s,5s,5as,9as)-4-hydroxy-6,6,9a-trimethyl-3-oxo-4,5,5a,7,8,9-hexahydro-1h-benzo[g][2]benzoxol-5-yl] ethanoate
  • [(4s,5s,5as,9as)-4-hydroxy-6,6,9a-trimethyl-3-oxo-4,5,5a,7,8,9-hexahydro-1h-benzo[g]isobenzofuran-5-yl] acetate
  • acetic acid [(4s,5s,5as,9as)-4-hydroxy-3-keto-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1h-benzo[g]isobenzofuran-5-yl] ester
  • acetic acid [(4s,5s,5as,9as)-4-hydroxy-6,6,9a-trimethyl-3-oxo-4,5,5a,7,8,9-hexahydro-1h-benzo[g]isobenzofuran-5-yl] ester
InChIKey IXRCUCMDEOVZLM-QDEZUTFSSA-N
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