(5α,17α)-17-Hydroxy-21-Iodopregn-20-En-3-One

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Formula C21H31IO2
IUPAC Name (5s,8r,9s,10s,13s,14s,17s)-17-hydroxy-17-[(e)-2-iodovinyl]-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 442.374 g·mol−1
Heat of Formation -449.0 ± 16.7 kJ·mol−1
Dipole Moment 3.03 ± 1.08 D
Volume 454.23 Å 3
Surface Area 356.74 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 0.40 ± eV
Point Group Symmetry C1
InChIKey DWUIOIDQYOFBEC-RIQHTDSFSA-N
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