(17α,20E)-21-Iodo-3-Methoxy-19-Norpregna-1,3,5(10),20-Tetraen-17-Ol

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Formula C21H27IO2
IUPAC Name (8r,9s,13s,14s,17r)-17-[(e)-2-(125i)iodanylvinyl]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-ol
Molecular Mass 436.343 g·mol−1
Heat of Formation -272.8 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 441.94 Å 3
Surface Area 364.85 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
InChIKey CNXYYKZZDGUKQL-YTZOAOCMSA-N
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