Homoplakotenin

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Formula C25H34O2
IUPAC Name (e)-3-[(1r,3r,3ar,4s,5s,7ar)-4,7-diethyl-1,3-dimethyl-5-phenyl-1,2,3,3a,5,7a-hexahydroinden-4-yl]-2-methyl-prop-2-enoic acid
Molecular Mass 366.536 g·mol−1
Heat of Formation -387.1 ± 16.7 kJ·mol−1
Dipole Moment 1.70 ± 1.08 D
Volume 485.08 Å 3
Surface Area 366.89 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 2.98 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[(1r,3r,3ar,4s,5s,7ar)-4,7-diethyl-1,3-dimethyl-5-phenyl-1,2,3,3a,5,7a-hexahydroinden-4-yl]-2-methyl-acrylic acid
  • (e)-3-[(1r,3r,3ar,4s,5s,7ar)-4,7-diethyl-1,3-dimethyl-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)-4,7-diethyl-1,3-dimethyl-5-phenyl-1,2,3,3a,5,7a-hexahydroinden-4-yl]-2-methylprop-2-enoic acid
InChIKey CCCHOLIIPIWUMK-IHCILATKSA-N
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Elements H C O