(17α)-17-Hydroxy-21-Iodopregna-4,6-Dien-20-Yn-3-One

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Formula C21H25IO2
IUPAC Name (8r,9s,10r,13s,14s,17s)-17-hydroxy-17-(2-iodoethynyl)-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 436.326 g·mol−1
Heat of Formation -46.4 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 433.63 Å 3
Surface Area 351.46 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
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InChIKey OLSDNCSWCHMJEW-SJFWLOONSA-N
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