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

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Properties Simple | Detailed

Formula C25H38O5
IUPAC Name [(1r,3s,7r,8r,8as)-8-[2-[(2r,4s)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
Molecular Mass 418.566 g·mol−1
Heat of Formation -1077.2 ± 16.7 kJ·mol−1
Dipole Moment 6.28 ± 1.08 D
Volume 540.15 Å 3
Surface Area 402.63 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-dimethylbutanoic acid [(1r,3s,7r,8r,8as)-8-[2-[(2r,4s)-4-hydroxy-6-oxo-2-tetrahydropyranyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
  • 2,2-dimethylbutyric acid [(1r,3s,7r,8r,8as)-8-[2-[(2r,4s)-4-hydroxy-6-keto-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
  • [(1r,3s,7r,8r,8as)-8-[2-[(2r,4s)-4-hydroxy-6-oxo-oxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
  • [(1r,3s,7r,8r,8as)-8-[2-[(2r,4s)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
  • [(1r,3s,7r,8r,8as)-8-[2-[(2r,4s)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
InChIKey RYMZZMVNJRMUDD-MKPQAFFTSA-N
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