{(4Ar,5S,6R,8As)-5-[(3S)-3-Hydroxy-3-Methyl-4-Penten-1-Yl]-5,6,8A-Trimethyl-3,4,4A,5,6,7,8,8A-Octahydro-1-Naphthalenyl}Methyl Acetate

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Properties Simple | Detailed

Formula C22H36O3
IUPAC Name [(4ar,5s,6r,8as)-5-[(3s)-3-hydroxy-3-methyl-pent-4-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl acetate
Molecular Mass 348.519 g·mol−1
Heat of Formation -698.8 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 468.84 Å 3
Surface Area 365.54 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 1-naphthalenepropanol, 5-[(acetyloxy)methyl]-alpha-ethenyl-1,2,3,4,4a,7,8,8a-octahydro-alpha,1,2,4a-tetramethyl-, (1s,2r,4as,8ar)-
  • 13-hydroxy-18-acetoxy-cis-cleroda-3,14-diene
  • [(4ar,5s,6r,8as)-5-(3-hydroxy-3-methylpent-4-en-1-yl)-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methyl rel-acetate
  • [(4ar,5s,6r,8as)-5-[(3s)-3-hydroxy-3-methyl-pent-4-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl acetate
  • [(4ar,5s,6r,8as)-5-[(3s)-3-hydroxy-3-methyl-pent-4-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl ethanoate
  • [(4ar,5s,6r,8as)-5-[(3s)-3-hydroxy-3-methylpent-4-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl acetate
  • acetic acid 5-(3-hydroxy-3-methyl-pent-4-enyl)-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-ylmethyl ester
  • acetic acid [(4ar,5s,6r,8as)-5-[(3s)-3-hydroxy-3-methyl-pent-4-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl ester
  • acetic acid [(4ar,5s,6r,8as)-5-[(3s)-3-hydroxy-3-methylpent-4-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl ester
  • rigidusol
InChIKey HMSAXXCDLFKNRA-CNPJFBIHSA-N
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