Junceol A

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Properties Simple | Detailed

Formula C17H28O3
IUPAC Name [1-[(2r,4ar,5r,8s)-5-hydroxy-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2h-naphthalen-2-yl]-1-methyl-ethyl] acetate
Molecular Mass 280.402 g·mol−1
Heat of Formation -749.8 ± 16.7 kJ·mol−1
Dipole Moment 1.81 ± 1.08 D
Volume 371.71 Å 3
Surface Area 291.99 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 4.18 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2r,4ar,5r,8s)-5-hydroxy-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2h-naphthalen-2-yl]propan-2-yl ethanoate
  • [1-[(2r,4ar,5r,8s)-5-hydroxy-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2h-naphthalen-2-yl]-1-methyl-ethyl] acetate
  • acetic acid [1-[(2r,4ar,5r,8s)-5-hydroxy-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2h-naphthalen-2-yl]-1-methyl-ethyl] ester
  • acetic acid [1-[(2r,4ar,5r,8s)-5-hydroxy-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2h-naphthalen-2-yl]-1-methylethyl] ester
InChIKey FORUHHDUOITCNL-BYMSMCERSA-N
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