(17α,20E)-17-Hydroxy-21-(~125~I)Iodo-19-Norpregna-4,20-Dien-3-One

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Properties Simple | Detailed

Formula C20H27IO2
IUPAC Name (8r,9s,10r,13s,14s,17r)-17-hydroxy-17-[(e)-2-iodovinyl]-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 426.332 g·mol−1
Heat of Formation -332.6 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 430.21 Å 3
Surface Area 343.38 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 3.00 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,17r)-17-hydroxy-17-[(e)-2-iodoethenyl]-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,17r)-17-hydroxy-17-[(e)-2-iodovinyl]-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
InChIKey KIUMLVBHJJIUCE-WKNCTFSYSA-N
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