4-Methoxy-2-Oxo-6-[(1R,2S,4Ar,8S,8Ar)-1,2,8-Trimethyl-1,2,4A,5,6,7,8,8A-Octahydro-1-Naphthalenyl]-2H-Pyran-3-Carbaldehyde

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Properties Simple | Detailed

Formula C20H27O4+
IUPAC Name 6-[(1r,2s,4ar,8s,8ar)-1,2,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-4-methoxy-2-oxo-pyran-3-carbaldehyde
Molecular Mass 331.426 g·mol−1
Heat of Formation -602.2 ± 16.7 kJ·mol−1
Dipole Moment 6.20 ± 1.08 D
Volume 408.34 Å 3
Surface Area 327.98 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[(1r,2s,4ar,8s,8ar)-1,2,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-2-keto-4-methoxy-pyran-3-carbaldehyde
  • 6-[(1r,2s,4ar,8s,8ar)-1,2,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-4-methoxy-2-oxo-3-pyrancarboxaldehyde
  • 6-[(1r,2s,4ar,8s,8ar)-1,2,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-4-methoxy-2-oxo-pyran-3-carbaldehyde
  • 6-[(1r,2s,4ar,8s,8ar)-1,2,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-4-methoxy-2-oxopyran-3-carbaldehyde
InChIKey VJWRZMQZHDPEMN-LSVSEMBBSA-N
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