(4R,6R)-6-{2-[(1S,2S,4Ar,6R,8Ar)-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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Formula C19H30O3
IUPAC Name (4r,6r)-6-[2-[(1s,2s,4ar,6r,8ar)-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 -688.4 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 400.5 Å 3
Surface Area 340.97 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 1.04 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,6r)-6-[2-[(1s,2s,4ar,6r,8ar)-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,8ar)-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,8ar)-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,8ar)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one
  • 2h-pyran-2-one, tetrahyro-4-hydroxy-6-(2-(1,2,4a,5,6,7,8,8a-octahydro-2,6-dimethyl-1-naphthalenyl)ethyl)-
CAS Number(s)
  • 86827-77-2
InChIKey AGNDLYBQPUJADV-QQNKPZKVSA-N
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