4-Hydroxy-3-{[(1R,2S,4As,8As)-1,2,4A,5-Tetramethyl-1,2,3,4,4A,7,8,8A-Octahydro-1-Naphthalenyl]Methyl}Phenyl Acetate

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Properties Simple | Detailed

Formula C23H32O3
IUPAC Name [3-[[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-hydroxy-phenyl] acetate
Molecular Mass 356.498 g·mol−1
Heat of Formation -609.0 ± 16.7 kJ·mol−1
Dipole Moment 1.41 ± 1.08 D
Volume 461.19 Å 3
Surface Area 342.32 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 0.00 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-benzenediol, 2-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-, 4-acetate, (1r-(1alpha,2beta,4abeta,8aalpha))-
  • [3-[[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-hydroxy-phenyl] acetate
  • [3-[[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-hydroxy-phenyl] ethanoate
  • [3-[[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-hydroxyphenyl] acetate
  • acetic acid [3-[[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-hydroxy-phenyl] ester
  • acetic acid [3-[[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-hydroxyphenyl] ester
  • avarol monoacetate
  • monoacetyl avarol
CAS Number(s)
  • 122143-92-4
InChIKey DRSPVCXBVVVLIJ-RAKGIWIYSA-N
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