(4R,6R)-4-Hydroxy-6-{2-[(1S,2S,8S,8Ar)-8-Hydroxy-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 C18H26O4
IUPAC Name (4r,6r)-6-[2-[(1s,2s,8s,8ar)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxy-tetrahydropyran-2-one
Molecular Mass 306.397 g·mol−1
Heat of Formation -776.6 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 381.45 Å 3
Surface Area 326.42 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,6r)-6-[2-[(1s,2s,8s,8ar)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxy-2-tetrahydropyranone
  • (4r,6r)-6-[2-[(1s,2s,8s,8ar)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxy-oxan-2-one
  • (4r,6r)-6-[2-[(1s,2s,8s,8ar)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxy-tetrahydropyran-2-one
  • (4r,6r)-6-[2-[(1s,2s,8s,8ar)-8-hydroxy-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-8-hydroxy-2-methyl-1-naphthalenyl)ethyl)tetrahydro-4-hydroxy-, (1s-(1-alpha(4s*,6s*),2-alpha,8-beta,8a-alpha))-
  • 6-(2-(1,2,6,7,8,8a-hexahydro-8-hydroxy-2-methyl-1-naphthalenyl)ethyl)tetrahydro-4-hydroxy-2h-pyran-2-one
  • compactin diol lactone
  • ml 236a
  • ml-236a
CAS Number(s)
  • 58889-19-3
InChIKey WWSNTLOVYSRDEL-DZSDEGEFSA-N
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