Cholesterin Acetate

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Properties Simple | Detailed

Formula C29H48O2
IUPAC Name [(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 428.690 g·mol−1
Heat of Formation -721.4 ± 16.7 kJ·mol−1
Dipole Moment 2.45 ± 1.08 D
Volume 589.78 Å 3
Surface Area 467.54 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 1.22 ± eV
Point Group Symmetry C1
Synonyms
  • 3beta-acetoxy-5-cholestene
  • 3beta-hydroxy-5-cholestene 3-acetate
  • 5-cholesten-3beta-ol 3-acetate
  • [(3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate
  • [(3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] ethanoate
  • [(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate
  • acetic acid [(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] ester
  • bb_nc-0607
  • cholesteryl acetate
InChIKey XUGISPSHIFXEHZ-VEVYEIKRSA-N
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