Formerly Known As Plakotenin

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Properties Simple | Detailed

Formula C24H32O2
IUPAC Name (e)-3-[(1r,3r,3ar,4s,5s,7ar)-4-ethyl-1,3,7-trimethyl-5-phenyl-1,2,3,3a,5,7a-hexahydroinden-4-yl]-2-methyl-prop-2-enoic acid
Molecular Mass 352.510 g·mol−1
Heat of Formation -364.6 ± 16.7 kJ·mol−1
Dipole Moment 1.86 ± 1.08 D
Volume 463.25 Å 3
Surface Area 356.04 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[(1r,3r,3ar,4s,5s,7ar)-4-ethyl-1,3,7-trimethyl-5-phenyl-1,2,3,3a,5,7a-hexahydroinden-4-yl]-2-methyl-acrylic acid
  • (e)-3-[(1r,3r,3ar,4s,5s,7ar)-4-ethyl-1,3,7-trimethyl-5-phenyl-1,2,3,3a,5,7a-hexahydroinden-4-yl]-2-methyl-prop-2-enoic acid
  • (e)-3-[(1r,3r,3ar,4s,5s,7ar)-4-ethyl-1,3,7-trimethyl-5-phenyl-1,2,3,3a,5,7a-hexahydroinden-4-yl]-2-methylprop-2-enoic acid
InChIKey NZZHSJZMHIQBPW-LUGBEJBBSA-N
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