(16α,17Beta)-17-Hydroxy-16-Iodoestra-4,9-Dien-3-One

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Properties Simple | Detailed

Formula C18H23IO2
IUPAC Name (8s,13s,14s,16r,17r)-17-hydroxy-16-iodo-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 398.278 g·mol−1
Heat of Formation -320.0 ± 16.7 kJ·mol−1
Dipole Moment 5.89 ± 1.08 D
Volume 380.02 Å 3
Surface Area 316.52 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,13s,14s,16r,17r)-17-hydroxy-16-iodo-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • 16alpha-iodo-19-nortestosterone
  • delta(9)-16-iodo-19-nortestosterone
CAS Number(s)
  • 114896-44-5
InChIKey BDNASYOQFXLAMD-WKULXVSPSA-N
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