(8R,9S,10R,13S,14S)-17-Hydroxy-17-[6-(~125~I)Iodo-1-Hexyn-1-Yl]-13-Methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-3H-Cyclopenta[A]Phenanthren-3-One

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Formula C24H33IO2
IUPAC Name (8r,9s,10r,13s,14s,17r)-17-hydroxy-17-(6-iodohex-1-ynyl)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 480.422 g·mol−1
Heat of Formation -262.5 ± 16.7 kJ·mol−1
Dipole Moment 8.43 ± 1.08 D
Volume 511.07 Å 3
Surface Area 410.91 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 3.10 ± eV
Point Group Symmetry C1
InChIKey ATOABPRAPSWSDS-KAGYXSEVSA-N
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