[(1R,2S,4Ar,8Ar)-1-Acetoxy-2-Isopropyl-8-Methyl-6-Oxo-1,3,4,5,6,8A-Hexahydro-4A(2H)-Naphthalenyl]Methyl Acetate

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Formula C19H28O5
IUPAC Name [(1r,2s,4ar,8ar)-1-acetoxy-2-isopropyl-8-methyl-6-oxo-1,2,3,4,5,8a-hexahydronaphthalen-4a-yl]methyl acetate
Molecular Mass 336.423 g·mol−1
Heat of Formation -1073.0 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 425.46 Å 3
Surface Area 330.07 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,2s,4ar,8ar)-4a-(acetoxymethyl)-2-isopropyl-8-methyl-6-oxo-1,2,3,4,5,8a-hexahydronaphthalen-1-yl] acetate
  • [(1r,2s,4ar,8ar)-4a-(acetyloxymethyl)-8-methyl-6-oxo-2-propan-2-yl-1,2,3,4,5,8a-hexahydronaphthalen-1-yl] acetate
  • [(1r,2s,4ar,8ar)-4a-(acetyloxymethyl)-8-methyl-6-oxo-2-propan-2-yl-1,2,3,4,5,8a-hexahydronaphthalen-1-yl] ethanoate
  • acetic acid [(1r,2s,4ar,8ar)-4a-(acetoxymethyl)-2-isopropyl-6-keto-8-methyl-1,2,3,4,5,8a-hexahydronaphthalen-1-yl] ester
  • acetic acid [(1r,2s,4ar,8ar)-4a-(acetoxymethyl)-2-isopropyl-8-methyl-6-oxo-1,2,3,4,5,8a-hexahydronaphthalen-1-yl] ester
InChIKey SVEJFWCDTHHUNF-OKYOBFRVSA-N
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