(3β)-3-Ethoxy-19-Iodocholest-5-Ene

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Properties Simple | Detailed

Formula C29H49IO
IUPAC Name (3s,8s,9s,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-3-ethoxy-10-(iodomethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene
Molecular Mass 540.603 g·mol−1
Heat of Formation -461.5 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 620.49 Å 3
Surface Area 487.09 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-3-ethoxy-10-(iodomethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene
  • (3s,8s,9s,10s,13r,14s,17r)-3-ethoxy-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]phenanthrene
  • 19-iodocholesterol 3-ethyl ether
  • cholest-5-ene, 3-ethoxy-19-iodo-, (3beta)-
CAS Number(s)
  • 66277-12-1
InChIKey VNONSVJHTAHLPB-KYZQNHQYSA-N
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