3-(Hydroxymethyl)-4-Methoxy-6-[(1R,2S,4Ar,8Ar)-2-Methyl-1,2,4A,5,6,7,8,8A-Octahydro-1-Naphthalenyl]-2H-Pyran-2-One

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Properties Simple | Detailed

Formula C18H24O4
IUPAC Name 6-[(1r,2s,4ar,8ar)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-(hydroxymethyl)-4-methoxy-pyran-2-one
Molecular Mass 304.381 g·mol−1
Heat of Formation -676.7 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 374.96 Å 3
Surface Area 314.96 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(hydroxymethyl)-4-methoxy-6-[(1r,2s,4ar,8ar)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-2h-pyran-2-one
  • 6-[(1r,2s,4ar,8ar)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-(hydroxymethyl)-4-methoxy-2-pyranone
  • 6-[(1r,2s,4ar,8ar)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-(hydroxymethyl)-4-methoxy-pyran-2-one
  • 6-[(1r,2s,4ar,8ar)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-(hydroxymethyl)-4-methoxypyran-2-one
  • 6-[(1r,2s,4ar,8ar)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-methoxy-3-methylol-pyran-2-one
InChIKey YJHFAFJKTXEFDR-SFDCBXKLSA-N
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