(3β)-Cholest-5-En-3-Yl Octylcarbamate

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Properties Simple | Detailed

Formula C36H63NO2
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] n-methylcarbamate
Molecular Mass 541.891 g·mol−1
Heat of Formation -861.0 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 755.46 Å 3
Surface Area 630.2 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 4.18 ± eV
Point Group Symmetry C1
Synonyms
  • 3-cholesteryl-n-octylcarbamate
  • 3-cnoc
  • [(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] n-octylcarbamate
  • [(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] n-octylcarbamate
  • cholest-5-en-3-ol (3beta)-, octylcarbamate
  • n-octylcarbamic 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
CAS Number(s)
  • 57228-66-7
InChIKey VFDGHTDBOQKAMG-MKQVXYPISA-N
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