(3β,6β)-6-(Iodomethyl)-3-Methoxy-19-Norcholest-5(10)-Ene

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Properties Simple | Detailed

Formula C28H47IO
IUPAC Name (3s,6r,8s,9s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-6-(iodomethyl)-3-methoxy-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
Molecular Mass 526.577 g·mol−1
Heat of Formation -444.5 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 606.43 Å 3
Surface Area 477.64 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6r,8s,9s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-6-(iodomethyl)-3-methoxy-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
  • (3s,6r,8s,9s,13r,14s,17r)-6-(iodomethyl)-3-methoxy-13-methyl-17-[(2r)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
  • 19-norcholest-5(10)-ene, 6-(iodomethyl)-3-methoxy-, (3beta,6beta)
  • 3-mimnce
  • 3beta-methoxy-6-beta-iodomethyl-19-norcholest-5(10)ene
CAS Number(s)
  • 70240-78-7
InChIKey LLHJJPFLHKMELY-HJWFFQFZSA-N
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