(17α)-3-Oxo-19-Norpregn-4-En-20-Yn-17-Yl Pivalate

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Properties Simple | Detailed

Formula C25H34O3
IUPAC Name [(8r,9s,10r,13s,14s,17r)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate
Molecular Mass 382.536 g·mol−1
Heat of Formation -474.1 ± 16.7 kJ·mol−1
Dipole Moment 5.63 ± 1.08 D
Volume 455.33 Å 3
Surface Area 345.34 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • 19-norpregn-4-en-20-yn-3-one, 17-(2,2-dimethyl-1-oxopropoxy)-, (17alpha)-
  • 2,2-dimethylpropanoic acid [(8r,9s,10r,13s,14s,17r)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
  • 2,2-dimethylpropionic acid [(8r,9s,10r,13s,14s,17r)-17-ethynyl-3-keto-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
  • [(8r,9s,10r,13s,14s,17r)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate
  • norethindrone pivalate
CAS Number(s)
  • 65445-09-2
InChIKey PZXAQHCWXLHKAY-HGBFTFLOSA-N
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