(4R,6R)-4-Hydroxy-6-{2-[(1S,2S,8Ar)-2-Methyl-1,2,6,7,8,8A-Hexahydro-1-Naphthalenyl]Ethyl}Tetrahydro-2H-Pyran-2-One

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Properties Simple | Detailed

Formula C18H26O3
IUPAC Name (4r,6r)-6-[2-[(1s,2s,8ar)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxy-tetrahydropyran-2-one
Molecular Mass 290.397 g·mol−1
Heat of Formation -591.3 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 370.65 Å 3
Surface Area 321.92 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,6r)-6-[2-[(1s,2s,8ar)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxy-2-tetrahydropyranone
  • (4r,6r)-6-[2-[(1s,2s,8ar)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxy-oxan-2-one
  • (4r,6r)-6-[2-[(1s,2s,8ar)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxy-tetrahydropyran-2-one
  • (4r,6r)-6-[2-[(1s,2s,8ar)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one
  • 2h-pyran-2-one, 6-(2-(1,2,6,7,8,8a-hexahydro-2-methyl-1-naphthalenyl)ethyl)tetrahydro-4-hydroxy-, (1s-(1-alpha(4s*,6s*),2-alpha,8a-alpha))-
  • 6-(2-(1,2,6,7,8,8a-hexahydro-2-methyl-1-naphthalenyl)ethyl)tetrahydro-4-hydroxy-2h-pyran-2-one
  • ml 236c
  • ml-236c
CAS Number(s)
  • 58889-18-2
InChIKey NXIASLUNMKAUTN-WFKFIOEPSA-N
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