(17α,20E)-21-Iodo-19-Norpregna-1,3,5(10),20-Tetraene-3,17-Diol

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Properties Simple | Detailed

Formula C20H25IO2
IUPAC Name (8r,9s,13s,14s,17r)-17-[(e)-2-iodovinyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 424.316 g·mol−1
Heat of Formation -292.6 ± 16.7 kJ·mol−1
Dipole Moment 1.47 ± 1.08 D
Volume 421.07 Å 3
Surface Area 345.39 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 3.18 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17r)-17-[(e)-2-iodovinyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
InChIKey DQQMDOLPKAVVIE-XTJNFZKPSA-N
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