(1R,4As,8As)-5,5-Dimethyl-8-Oxo-1,4,4A,5,6,7,8,8A-Octahydro-1,2-Naphthalenedicarbaldehyde

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Formula C14H18O3
IUPAC Name (1r,4as,8as)-5,5-dimethyl-8-oxo-1,4,4a,6,7,8a-hexahydronaphthalene-1,2-dicarbaldehyde
Molecular Mass 234.291 g·mol−1
Heat of Formation -482.0 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 292.58 Å 3
Surface Area 244.8 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4as,8as)-5,5-dimethyl-8-oxo-1,4,4a,6,7,8a-hexahydronaphthalene-1,2-dicarbaldehyde
  • (1r,4as,8as)-5,5-dimethyl-8-oxo-1,4,4a,6,7,8a-hexahydronaphthalene-1,2-dicarboxaldehyde
  • (1r,4as,8as)-8-keto-5,5-dimethyl-1,4,4a,6,7,8a-hexahydronaphthalene-1,2-dicarbaldehyde
  • 1,2-naphthalenedicarboxaldehyde, 1,4,4a,5,6,7,8,8a-octahydro-5,5-dimethyl-8-oxo-, (1alpha,4aalpha,8aalpha)-(-)-
  • kuehneromycin b
  • panudial
CAS Number(s)
  • 154648-88-1
InChIKey HIRWQNBXJGMISA-GMXVVIOVSA-N
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