4-Chloro-19-Nortestosterone Acetate

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Properties Simple | Detailed

Formula C20H27ClO3
IUPAC Name [(8r,9s,10r,13s,14s,17s)-4-chloro-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 350.880 g·mol−1
Heat of Formation -695.0 ± 16.7 kJ·mol−1
Dipole Moment 6.81 ± 1.08 D
Volume 422.1 Å 3
Surface Area 346.33 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 4-chloro-17beta-hydroxyestr-4-en-3-one 17-acetate
  • [(8r,9s,10r,13s,14s,17s)-4-chloro-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9s,10r,13s,14s,17s)-4-chloro-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8r,9s,10r,13s,14s,17s)-4-chloro-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(8r,9s,10r,13s,14s,17s)-4-chloro-3-keto-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
InChIKey FNMAFGQVNCRKGS-JZQWUOKRSA-N
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Elements H C O Cl