(-)-3-O-Acetylspectaline

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Properties Simple | Detailed

Formula C22H41NO3
IUPAC Name [(2r,3r,6s)-2-methyl-6-(13-oxotetradecyl)-3-piperidyl] acetate
Molecular Mass 367.566 g·mol−1
Heat of Formation -895.9 ± 16.7 kJ·mol−1
Dipole Moment 2.44 ± 1.08 D
Volume 520.84 Å 3
Surface Area 474.77 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 0.95 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,6s)-2-methyl-6-(13-oxotetradecyl)-3-piperidyl] acetate
  • [(2r,3r,6s)-2-methyl-6-(13-oxotetradecyl)piperidin-3-yl] acetate
  • [(2r,3r,6s)-2-methyl-6-(13-oxotetradecyl)piperidin-3-yl] ethanoate
  • acetic acid [(2r,3r,6s)-2-methyl-6-(13-oxotetradecyl)-3-piperidinyl] ester
  • acetic acid [(2r,3r,6s)-6-(13-ketotetradecyl)-2-methyl-3-piperidyl] ester
InChIKey LRKWDKCSHJWJST-BAGYTPMASA-N
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