(3β,6β)-6-(Iodomethyl)-19-Norcholest-5(10)-En-3-Ol

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Properties Simple | Detailed

Formula C27H45IO
IUPAC Name (3s,6r,8s,9s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-6-(iodomethyl)-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
Molecular Mass 512.550 g·mol−1
Heat of Formation -470.3 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 585.26 Å 3
Surface Area 457.22 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6r,8s,9s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-6-(iodomethyl)-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
  • (3s,6r,8s,9s,13r,14s,17r)-6-(iodomethyl)-13-methyl-17-[(2r)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
  • 6beta-iodo-(sup 131)i-methyl-19-norcholest-5(10)-en-3beta-ol
  • norcholestenol iodomethyl ((sup 131)i) [injection:jan]
  • norcholestenol lodomethyl (i-131)
InChIKey QJHZPCLORSPENH-YVJYXHLXSA-N
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