(2S)-2-[(3S,6S)-6-Methyl-6-{2-[(1R,2R,4As)-1,2,5,5-Tetramethyl-1,2,3,4,4A,5,6,7-Octahydro-1-Naphthalenyl]Ethyl}-1,2-Dioxan-3-Yl]Propanoic Acid

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Formula C24H40O4
IUPAC Name (2s)-2-[(3s,6s)-6-[2-[(1r,2r,4as)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-6-methyl-dioxan-3-yl]propanoic acid
Molecular Mass 392.572 g·mol−1
Heat of Formation -779.6 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 516.07 Å 3
Surface Area 382.79 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(3s,6s)-6-[2-[(1r,2r,4as)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-6-methyl-1,2-dioxan-3-yl]propanoic acid
  • (2s)-2-[(3s,6s)-6-[2-[(1r,2r,4as)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-6-methyl-3-dioxanyl]propanoic acid
  • (2s)-2-[(3s,6s)-6-[2-[(1r,2r,4as)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-6-methyl-dioxan-3-yl]propanoic acid
  • (2s)-2-[(3s,6s)-6-[2-[(1r,2r,4as)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-6-methyl-dioxan-3-yl]propionic acid
  • (2s)-2-[(3s,6s)-6-[2-[(1r,2r,4as)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-6-methyldioxan-3-yl]propanoic acid
  • 1,2-dioxane-3-acetic acid, alpha,6-dimethyl-6-[2-[(1r,2r,4as)-1,2,3,4,4a,5,6,7-octahydro-1,2,5,5-tetramethyl-1-naphthalenyl]ethyl]-, (alphas)-
  • 2-{6-methyl-6-[2-(1,2,5,5-tetramethyl-1,2,3,4,4a,5,6,7-octahydro-naphthalen-1-yl)-ethyl]-[1,2]dioxan-3-yl}-propionic acid
  • mycaperoxide h
  • rel-(2r)-2-(6-methyl-6-{2-[(1s,2s,4ar)-1,2,5,5-tetramethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl]ethyl}-1,2-dioxan-3-yl)propanoic acid
InChIKey GDGRBTCRWIRALV-XVFMKSNCSA-N
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