17-Aminopregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C21H31NO2
IUPAC Name (8r,9s,10r,13s,14s,17r)-17-acetyl-17-amino-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 329.476 g·mol−1
Heat of Formation -445.7 ± 16.7 kJ·mol−1
Dipole Moment 6.71 ± 1.08 D
Volume 422.69 Å 3
Surface Area 330.22 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,17r)-17-acetyl-17-amino-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,17r)-17-amino-17-ethanoyl-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • pregn-4-ene-3,20-dione, 17-amino-
CAS Number(s)
  • 18211-54-6
InChIKey ZCXXTAJZAWFOAP-CEGNMAFCSA-N
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