(3β,6β)-6-[2-(~131~I)Iodoethyl]-19-Norcholest-5(10)-En-3-Ol

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Properties Simple | Detailed

Formula C28H47IO
IUPAC Name (3s,6s,8s,9s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-6-(2-iodoethyl)-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
Molecular Mass 526.577 g·mol−1
Heat of Formation -491.7 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 608.34 Å 3
Surface Area 478.94 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 3.63 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(2'-iodo)ethyl-19-norcholest-5(10)-ene-3-ol
  • 6-ienco
  • 6beta-(131i)-(2'-iodo)ethyl-19-norcholest-5(10)en-3beta-ol
CAS Number(s)
  • 109628-17-3
InChIKey MPBUQXGMQDVOIR-YSOOSTPMSA-N
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