(17β)-3-Oxoandrost-4-En-17-Yl Carbonazidate

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Properties Simple | Detailed

Formula C20H27N3O3
IUPAC Name [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] n-diazocarbamate
Molecular Mass 357.447 g·mol−1
Heat of Formation -312.6 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 438.67 Å 3
Surface Area 357.29 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
Synonyms
  • [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] n-diazocarbamate
  • androst-4-en-3-one, 17-((azidocarbonyl)oxy)-, (17beta)-
  • n-diazocarbamic acid [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
  • n-diazocarbamic acid [(8r,9s,10r,13s,14s,17s)-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
CAS Number(s)
  • 63795-83-5
InChIKey UQFJADCNLRXAJX-BGZMIMFDSA-N
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