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

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Properties Simple | Detailed

Formula C18H22O4
IUPAC Name 6-[(1r,2r,4as,8ar)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-methoxy-2-oxo-pyran-3-carbaldehyde
Molecular Mass 302.365 g·mol−1
Heat of Formation -604.4 ± 16.7 kJ·mol−1
Dipole Moment 4.57 ± 1.08 D
Volume 366.97 Å 3
Surface Area 309.2 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 4-methoxy-6-[(1r,2r,4as,8ar)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-2-oxo-2h-pyran-3-carbaldehyde
  • 6-[(1r,2r,4as,8ar)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-2-keto-4-methoxy-pyran-3-carbaldehyde
  • 6-[(1r,2r,4as,8ar)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-methoxy-2-oxo-3-pyrancarboxaldehyde
  • 6-[(1r,2r,4as,8ar)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-methoxy-2-oxo-pyran-3-carbaldehyde
  • 6-[(1r,2r,4as,8ar)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-methoxy-2-oxopyran-3-carbaldehyde
  • solanapyrone d
CAS Number(s)
  • 106973-16-4
InChIKey AWQLNKJBXASXDU-IPJQOSJUSA-N
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