(3β)-19-Iodo-3-Methoxycholest-5-Ene

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Formula C28H47IO
IUPAC Name (3s,8s,9s,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10-(iodomethyl)-3-methoxy-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene
Molecular Mass 526.577 g·mol−1
Heat of Formation -427.7 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 599.93 Å 3
Surface Area 461.15 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 0.92 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10s,13r,14s,17r)-10-(iodomethyl)-3-methoxy-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
  • (3s,8s,9s,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10-(iodomethyl)-3-methoxy-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene
  • 19-iodocholesterol 3-methyl ether
CAS Number(s)
  • 66277-11-0
InChIKey AFIXDOPRDJZNOO-TURLQYGPSA-N
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