(17β)-3-Hydroxyestra-1,3,5(10)-Trien-17-Yl 2,2-Dimethylhydrazinecarboxylate

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Properties Simple | Detailed

Formula C21H30N2O3
IUPAC Name [(8r,9s,13s,14s,17s)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] n-(dimethylamino)carbamate
Molecular Mass 358.475 g·mol−1
Heat of Formation -519.8 ± 16.7 kJ·mol−1
Dipole Moment 1.37 ± 1.08 D
Volume 447.46 Å 3
Surface Area 374.77 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • [(8r,9s,13s,14s,17s)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] n-dimethylaminocarbamate
  • n-dimethylaminocarbamic acid [(8r,9s,13s,14s,17s)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
InChIKey FMHVCEVHTFFJDV-AGRFSFNASA-N
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