(3β)-3-Iodocholest-5-Ene

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Formula C27H45I
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-3-iodo-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene
Molecular Mass 496.551 g·mol−1
Heat of Formation -281.2 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 569.67 Å 3
Surface Area 445.28 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-3-iodo-10,13-dimethyl-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-iodo-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
  • 3-beta-iodocholest-5-ene
  • cholesteryl iodide
CAS Number(s)
  • 2930-80-5
InChIKey PMVJGSYGUZXDAR-DPAQBDIFSA-N
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