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

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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 -336.9 ± 16.7 kJ·mol−1
Dipole Moment 5.44 ± 1.08 D
Volume 429.58 Å 3
Surface Area 348.24 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.99 ± eV
Point Group Symmetry C1
InChIKey KIUMLVBHJJIUCE-TUVRNXFESA-N
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