4-Methoxy-6-[(1R,2S,4Ar,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,2s,4ar,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 -609.1 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 366.91 Å 3
Surface Area 309.2 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-solanapyrone a
  • 2h-pyran-3-carboxaldehyde, 4-methoxy-6-((1r,2s,4ar,8ar)-1,2,4a,5,6,7,8,8a-octahydro-2-methyl-1-naphthalenyl)-2-oxo-
  • 2h-pyran-3-carboxaldehyde, 4-methoxy-6-(1,2,4a,5,6,7,8,8a-octahydro-2-methyl-1-naphthalenyl)-2-oxo-, (1r-(1alpha,2beta,4aalpha,8aalpha))-
  • 4-methoxy-6-((1r,2s,4ar,8ar)-1,2,4a,5,6,7,8,8a-octahydro-2-methyl-1-naphthalenyl)-2-oxo-2h-pyran-3-carboxaldehyde
  • 4-methoxy-6-[(1r,2s,4ar,8ar)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-2-oxo-2h-pyran-3-carbaldehyde
  • 6-[(1r,2s,4ar,8ar)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-2-keto-4-methoxy-pyran-3-carbaldehyde
  • 6-[(1r,2s,4ar,8ar)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-methoxy-2-oxo-3-pyrancarboxaldehyde
  • 6-[(1r,2s,4ar,8ar)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-methoxy-2-oxo-pyran-3-carbaldehyde
  • 6-[(1r,2s,4ar,8ar)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-methoxy-2-oxopyran-3-carbaldehyde
  • solanapyrone a
CAS Number(s)
  • 88899-61-0
InChIKey AWQLNKJBXASXDU-SFDCBXKLSA-N
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