(11β,17Xi)-21-(~125~I)Iodo-11-Methoxy-19-Norpregna-1,3,5(10)-Trien-20-Yne-3,17-Diol

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Properties Simple | Detailed

Formula C21H25IO3
IUPAC Name 17-(2-iodoethynyl)-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 452.326 g·mol−1
Heat of Formation -233.4 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 446.15 Å 3
Surface Area 363.25 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
InChIKey BOSIDMZYVBWUFU-OLGWUGKESA-N
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