(3B)-3-Chlorocholest-5-Ene

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Properties Simple | Detailed

Formula C27H45Cl
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-3-chloro-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene
Molecular Mass 405.099 g·mol−1
Heat of Formation -397.0 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 552.99 Å 3
Surface Area 432.44 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-3-chloro-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]phenanthrene
  • (3s,8s,9s,10r,13r,14s,17r)-3-chloro-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene
  • 3-beta-chlorocholest-5-ene
  • 3-chlorocholest-5-ene
  • 3-chlorocholestene
  • 3.beta.-chlorocholest-5-ene
  • 3beta-chloro-5-cholestene
  • cholest-5-ene, 3-chloro-, (3.beta.)-
  • cholest-5-ene, 3-chloro-, (3beta)-
  • cholest-5-ene, 3beta-chloro- (8ci)
  • cholesterol chloride
CAS Number(s)
  • 910-31-6
InChIKey OTVRYZXVVMZHHW-DPAQBDIFSA-N
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Elements H C Cl