(3β)-Cholest-5-En-3-Yl (4-Iodophenyl)Carbamate

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Properties Simple | Detailed

Formula C34H50INO2
IUPAC Name [(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-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 631.671 g·mol−1
Heat of Formation 1299.4 ± 16.7 kJ·mol−1
Dipole Moment 70.80 ± 1.08 D
Volume 697.89 Å 3
Surface Area 566.49 Å 2
HOMO Energy -5.69 ± 0.55 eV
LUMO Energy -4.90 ± eV
Point Group Symmetry C1
Synonyms
  • 4-ipcce
  • [(3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] n-(4-iodophenyl)carbamate
  • [(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-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
  • cholest-5-en-3-ol (3beta)-, (4-iodophenyl)carbamate
  • cholesterol 4-iodophenyl carbamate ester
  • n-(4-iodophenyl)carbamic acid [(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-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)cholesteryl 3-carbamate
CAS Number(s)
  • 124784-17-4
InChIKey JQCFZSAQTGDTED-AESKLMAPSA-N
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