(11β,17Alpha,20E)-21-(~125~I)Iodo-11-Methoxy-19-Norpregna-1,3,5(10),20-Tetraene-3,17-Diol

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Properties Simple | Detailed

Formula C21H27IO3
IUPAC Name (8s,9s,11s,13s,14s,17r)-17-[(e)-2-iodovinyl]-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 454.342 g·mol−1
Heat of Formation -439.7 ± 16.7 kJ·mol−1
Dipole Moment 1.01 ± 1.08 D
Volume 454.76 Å 3
Surface Area 365.37 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • 11-methoxy-17-iodovinylestradiol
  • 11-mive
  • 11beta-methoxy-17alpha-iodovinylestradiol
  • 17alpha-iodovinyl-11beta-methoxyestradiol
  • 19-norpregna-1,3,5(10),20-tetraene-3,17-diol, 21-(iodo-125i)-11-methoxy-, (11beta,17alpha,20e)-
  • ivme2
CAS Number(s)
  • 90857-55-9
InChIKey OODBRCOEGXETBA-XOGBIUMCSA-N
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