(11β,17Alpha,20E)-11-Ethyl-21-Iodo-19-Norpregna-1,3,5(10),20-Tetraene-3,17-Diol

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Properties Simple | Detailed

Formula C22H29IO2
IUPAC Name (8s,9s,11s,13s,14s,17r)-11-ethyl-17-[(e)-2-iodovinyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 452.369 g·mol−1
Heat of Formation -324.3 ± 16.7 kJ·mol−1
Dipole Moment 1.45 ± 1.08 D
Volume 457.62 Å 3
Surface Area 369.06 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,11s,13s,14s,17r)-11-ethyl-17-[(e)-2-iodoethenyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
  • (8s,9s,11s,13s,14s,17r)-11-ethyl-17-[(e)-2-iodovinyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
  • 17-iodovinyl-11-ethylestradiol
  • 17alpha-iodovinyl-11beta-ethylestradiol
  • 19-norpregna-1,3,5(10),20-tetraene-3,17-diol, 11-ethyl-21-iodo-, (11beta,17alpha,20e)-
CAS Number(s)
  • 149046-54-8
InChIKey UYRBVLDGMNORHN-XUOOYTPCSA-N
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