19-Iodostigmast-5-En-3β-Ol

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Properties Simple | Detailed

Formula C29H49IO
IUPAC Name (3s,8s,9s,10s,13r,14s,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethyl-hexyl]-10-(iodomethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 540.603 g·mol−1
Heat of Formation -494.8 ± 16.7 kJ·mol−1
Dipole Moment 2.51 ± 1.08 D
Volume 625.52 Å 3
Surface Area 459.51 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10s,13r,14s,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethyl-hexyl]-10-(iodomethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10s,13r,14s,17r)-17-[(1r,4r)-4-ethyl-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-ol
  • (3s,8s,9s,10s,13r,14s,17r)-17-[(2r,5r)-5-ethyl-6-methyl-heptan-2-yl]-10-(iodomethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10s,13r,14s,17r)-17-[(2r,5r)-5-ethyl-6-methylheptan-2-yl]-10-(iodomethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 19-iodositost-5-en-3beta-ol
  • 19-iodositosterol
CAS Number(s)
  • 42583-89-1
InChIKey OCWKWAPHLJGAGY-GSFBUCGTSA-N
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