(1R,4Ar,8R,8As)-7,8-Diformyl-4A-Hydroxy-4,4,8A-Trimethyl-1,2,3,4,4A,5,8,8A-Octahydro-1-Naphthalenyl (2E)-3-(4-Methoxyphenyl)Acrylate

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Properties Simple | Detailed

Formula C25H30O6
IUPAC Name [(1r,4ar,8r,8as)-7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-2,3,5,8-tetrahydro-1h-naphthalen-1-yl] (e)-3-(4-methoxyphenyl)prop-2-enoate
Molecular Mass 426.502 g·mol−1
Heat of Formation -871.0 ± 16.7 kJ·mol−1
Dipole Moment 7.96 ± 1.08 D
Volume 509.0 Å 3
Surface Area 418.96 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4ar,8r,8as)-7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl rel-(2e)-3-(4-methoxyphenyl)acrylate
  • (e)-3-(4-methoxyphenyl)acrylic acid [(1r,4ar,8r,8as)-7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-2,3,5,8-tetrahydro-1h-naphthalen-1-yl] ester
  • (e)-3-(4-methoxyphenyl)prop-2-enoic acid [(1r,4ar,8r,8as)-7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-2,3,5,8-tetrahydro-1h-naphthalen-1-yl] ester
  • 2-propenoic acid, 3-(4-methoxyphenyl)-, (1r,4ar,8r,8as)-7,8-diformyl-1,2,3,4,4a,5,8,8a-octahydro-4a-hydroxy-4,4,8a-trimethyl-1-naphthalenyl ester, (2e)-
  • 3-(4-methoxy-phenyl)-acrylic acid 7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-1,2,3,4,4a,5,8,8a-octahydro-naphthalen-1-yl ester
  • [(1r,4ar,8r,8as)-4a-hydroxy-7,8-dimethanoyl-4,4,8a-trimethyl-2,3,5,8-tetrahydro-1h-naphthalen-1-yl] (e)-3-(4-methoxyphenyl)prop-2-enoate
  • [(1r,4ar,8r,8as)-7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-2,3,5,8-tetrahydro-1h-naphthalen-1-yl] (e)-3-(4-methoxyphenyl)prop-2-enoate
  • drimanial
InChIKey ZQYOVSWUNPPKMW-OVKSSVTDSA-N
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