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

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Properties Simple | Detailed

Formula C24H38O5
IUPAC Name [(1s,3s,4ar,7s,8s,8ar)-8-[2-[(2r,4r)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] (2s)-2-methylbutanoate
Molecular Mass 406.556 g·mol−1
Heat of Formation -1150.3 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 525.66 Å 3
Surface Area 404.27 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 0.95 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-methylbutanoic acid [(1s,3s,4ar,7s,8s,8ar)-8-[2-[(2r,4r)-4-hydroxy-6-oxo-2-tetrahydropyranyl]ethyl]-3,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] ester
  • (2s)-2-methylbutyric acid [(1s,3s,4ar,7s,8s,8ar)-8-[2-[(2r,4r)-4-hydroxy-6-keto-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] ester
  • 4a,5-dihydromevinolin
  • [(1s,3s,4ar,7s,8s,8ar)-8-[2-[(2r,4r)-4-hydroxy-6-oxo-oxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] (2s)-2-methylbutanoate
  • [(1s,3s,4ar,7s,8s,8ar)-8-[2-[(2r,4r)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] (2s)-2-methylbutanoate
  • [(1s,3s,4ar,7s,8s,8ar)-8-[2-[(2r,4r)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] (2s)-2-methylbutanoate
  • butanoic acid, 2-methyl-, 1,2,3,4,4a,7,8,8a-octahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2h-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1s-(1alpha(r*),3alpha,4aalpha,7beta,8beta(2s*,4s*),8abeta))-
  • dihydromevinolin
CAS Number(s)
  • 77517-29-4
InChIKey IFIFFBWHLKGTMO-LDIGTXGYSA-N
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