19-Iodocholest-5-En-3β-Ol Acetate

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Formula C29H47IO2
IUPAC Name [(3s,8s,9s,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10-(iodomethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 554.587 g·mol−1
Heat of Formation -68.8 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 623.23 Å 3
Surface Area 483.86 Å 2
Point Group Symmetry C1
Synonyms
  • 19-iodo-5-cholesten-3beta-ol 3-acetate
  • 19-iodocholesterol 3-acetate
  • 5-cholesten-19-iodo-3beta-ol 3-acetate
  • [(3s,8s,9s,10s,13r,14s,17r)-10-(iodomethyl)-13-methyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate
  • [(3s,8s,9s,10s,13r,14s,17r)-10-(iodomethyl)-13-methyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] ethanoate
  • [(3s,8s,9s,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10-(iodomethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate
  • acetic acid [(3s,8s,9s,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10-(iodomethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] ester
InChIKey LVQSCLBKGHGMFF-KVHJHAPGSA-N
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