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

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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 0.99 ± 1.08 D
Volume 454.88 Å 3
Surface Area 365.47 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 3.21 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,11s,13s,14s,17r)-17-[(e)-2-iodoethenyl]-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
  • (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
InChIKey OODBRCOEGXETBA-JBCZNIOISA-N
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