1-[(3S,3Ar,5R,7As)-3-Hydroxy-5-Isopropenyl-7A-Methyloctahydro-3Ah-Inden-3A-Yl]Ethanone

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Properties Simple | Detailed

Formula C15H24O2
IUPAC Name 1-[(3s,3ar,5r,7as)-3-hydroxy-5-isopropenyl-7a-methyl-2,3,4,5,6,7-hexahydro-1h-inden-3a-yl]ethanone
Molecular Mass 236.350 g·mol−1
Heat of Formation -465.5 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 317.02 Å 3
Surface Area 261.37 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3s,3ar,5r,7as)-3-hydroxy-5-isopropenyl-7a-methyl-2,3,4,5,6,7-hexahydro-1h-inden-3a-yl]ethanone
  • 1-[(3s,3ar,5r,7as)-3-hydroxy-7a-methyl-5-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1h-inden-3a-yl]ethanone
  • cyperolone
InChIKey YALFFHSIVPCNLF-QPSCCSFWSA-N
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