(1R,3S,4As,8R,8As)-7,8-Diformyl-3,8A-Dimethyl-4-Methylene-1,2,3,4,4A,5,8,8A-Octahydro-1-Naphthalenyl (2E)-3-Phenylacrylate

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Properties Simple | Detailed

Formula C24H26O4
IUPAC Name [(1r,3s,4as,8r,8as)-7,8-diformyl-3,8a-dimethyl-4-methylene-1,2,3,4a,5,8-hexahydronaphthalen-1-yl] (e)-3-phenylprop-2-enoate
Molecular Mass 378.461 g·mol−1
Heat of Formation -437.0 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 467.87 Å 3
Surface Area 389.92 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-phenylacrylic acid [(1r,3s,4as,8r,8as)-7,8-diformyl-3,8a-dimethyl-4-methylene-1,2,3,4a,5,8-hexahydronaphthalen-1-yl] ester
  • (e)-3-phenylprop-2-enoic acid [(1r,3s,4as,8r,8as)-7,8-diformyl-3,8a-dimethyl-4-methylene-1,2,3,4a,5,8-hexahydronaphthalen-1-yl] ester
  • [(1r,3s,4as,8r,8as)-7,8-diformyl-3,8a-dimethyl-4-methylene-1,2,3,4a,5,8-hexahydronaphthalen-1-yl] (e)-3-phenylprop-2-enoate
  • [(1r,3s,4as,8r,8as)-7,8-diformyl-3,8a-dimethyl-4-methylidene-1,2,3,4a,5,8-hexahydronaphthalen-1-yl] (e)-3-phenylprop-2-enoate
  • [(1r,3s,4as,8r,8as)-7,8-dimethanoyl-3,8a-dimethyl-4-methylidene-1,2,3,4a,5,8-hexahydronaphthalen-1-yl] (e)-3-phenylprop-2-enoate
InChIKey RIGSJIIZCIKSKY-PKCWWXAYSA-N
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