(3β)-20-Oxopregn-5-En-3-Yl (4-Iodophenyl)Carbamate

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Formula C28H36INO3
IUPAC Name [(3s,8s,9s,10r,13s,14s,17s)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] n-(4-iodophenyl)carbamate
Molecular Mass 561.495 g·mol−1
Heat of Formation -527.0 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 589.07 Å 3
Surface Area 477.28 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta)-3-((((4-iodophenyl)amino)carbonyl)oxy)pregn-5-en-20-one
  • 4-ippc
  • [(3s,8s,9s,10r,13s,14s,17s)-17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] n-(4-iodophenyl)carbamate
  • n-(4-iodophenyl)carbamic acid [(3s,8s,9s,10r,13s,14s,17s)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] ester
  • n-(4-iodophenyl)pregnenolone 3-carbamate
  • pregn-5-en-20-one, 3-((((4-iodophenyl)amino)carbonyl)oxy)-, (3beta)-
CAS Number(s)
  • 124824-12-0
InChIKey NVKBMJWRJHYUAC-PUWKGJKWSA-N
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