(4R,6R)-6-{2-[(1S,2S,4Ar,6R,8As)-2,6-Dimethyl-1,2,4A,5,6,7,8,8A-Octahydro-1-Naphthalenyl]Ethyl}-4-Hydroxytetrahydro-2H-Pyran-2-One

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Properties Simple | Detailed

Formula C19H30O3
IUPAC Name (4r,6r)-6-[2-[(1s,2s,4ar,6r,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl]-4-hydroxy-tetrahydropyran-2-one
Molecular Mass 306.440 g·mol−1
Heat of Formation -693.0 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 399.95 Å 3
Surface Area 341.95 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,6r)-6-[2-[(1s,2s,4ar,6r,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl]-4-hydroxy-2-tetrahydropyranone
  • (4r,6r)-6-[2-[(1s,2s,4ar,6r,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl]-4-hydroxy-oxan-2-one
  • (4r,6r)-6-[2-[(1s,2s,4ar,6r,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl]-4-hydroxy-tetrahydropyran-2-one
  • (4r,6r)-6-[2-[(1s,2s,4ar,6r,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one
InChIKey AGNDLYBQPUJADV-VCWNUMGPSA-N
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