(17Xi)-21-Iodo-19-Norpregna-1,3,5(10)-Trien-20-Yne-3,17-Diol

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Properties Simple | Detailed

Formula C20H23IO2
IUPAC Name (8r,9s,13s,14s,17s)-17-(2-iodoethynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 422.300 g·mol−1
Heat of Formation -82.2 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 412.26 Å 3
Surface Area 344.05 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey BFZXFQZXTCAFIG-SWBPCFCJSA-N
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