6β-Iodocholesterol

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Properties Simple | Detailed

Formula C27H45IO
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-6-iodo-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 512.550 g·mol−1
Heat of Formation -451.7 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 580.43 Å 3
Surface Area 451.75 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-6-iodo-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10r,13r,14s,17r)-6-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]phenanthren-3-ol
  • 6-iodocholest-5-en 3beta-ol
  • 6-iodocholesterol
CAS Number(s)
  • 74920-44-8
InChIKey BWBDFSZMGKKIFA-OLSNINGUSA-N
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