(1S,7S,8S,8As)-8-{2-[(2R,4R)-4-Hydroxy-6-Oxotetrahydro-2H-Pyran-2-Yl]Ethyl}-3,7-Dimethyl-6-Oxo-1,2,6,7,8,8A-Hexahydro-1-Naphthalenyl 2,2-Dimethylbutanoate

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Properties Simple | Detailed

Formula C25H36O6
IUPAC Name [(1s,7s,8s,8as)-8-[2-[(2r,4r)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-6-oxo-2,7,8,8a-tetrahydro-1h-naphthalen-1-yl] 2,2-dimethylbutanoate
Molecular Mass 432.550 g·mol−1
Heat of Formation -1235.5 ± 16.7 kJ·mol−1
Dipole Moment 8.57 ± 1.08 D
Volume 548.99 Å 3
Surface Area 412.46 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-dimethylbutanoic acid [(1s,7s,8s,8as)-8-[2-[(2r,4r)-4-hydroxy-6-oxo-2-tetrahydropyranyl]ethyl]-3,7-dimethyl-6-oxo-2,7,8,8a-tetrahydro-1h-naphthalen-1-yl] ester
  • 2,2-dimethylbutyric acid [(1s,7s,8s,8as)-8-[2-[(2r,4r)-4-hydroxy-6-keto-tetrahydropyran-2-yl]ethyl]-6-keto-3,7-dimethyl-2,7,8,8a-tetrahydro-1h-naphthalen-1-yl] ester
  • [(1s,7s,8s,8as)-8-[2-[(2r,4r)-4-hydroxy-6-oxo-oxan-2-yl]ethyl]-3,7-dimethyl-6-oxo-2,7,8,8a-tetrahydro-1h-naphthalen-1-yl] 2,2-dimethylbutanoate
  • [(1s,7s,8s,8as)-8-[2-[(2r,4r)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-6-oxo-2,7,8,8a-tetrahydro-1h-naphthalen-1-yl] 2,2-dimethylbutanoate
  • [(1s,7s,8s,8as)-8-[2-[(2r,4r)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-6-oxo-2,7,8,8a-tetrahydro-1h-naphthalen-1-yl] 2,2-dimethylbutanoate
  • butanoic acid, 2,2-dimethyl-, 1,2,6,7,8,8a-hexahydro-3,7-dimethyl-6-oxo-8-(2-(tetrahydro-4-hydroxy-6-oxo-2h-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1s-(1alpha,7beta,8beta(2s*,4s*),8abeta))-
  • l 669262
  • l-669,262
  • l-669262
CAS Number(s)
  • 130468-11-0
InChIKey NPDFVGFXQSJBAA-CKLJVHAJSA-N
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