3,17-Dioxoandrost-4-En-4-Yl Acetate

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Properties Simple | Detailed

Formula C21H28O4
IUPAC Name [(8r,9s,10r,13s,14s)-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-4-yl] acetate
Molecular Mass 344.445 g·mol−1
Heat of Formation -792.7 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 428.76 Å 3
Surface Area 339.01 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(acetyloxy)androst-4-ene-3,17-dione
  • 4-acetoxy-4-androstene-3,17-dione
  • 4-androsten-4-ol-3,17-dione acetate
  • [(8r,9s,10r,13s,14s)-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-4-yl] acetate
  • [(8r,9s,10r,13s,14s)-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-4-yl] ethanoate
  • acetic acid [(8r,9s,10r,13s,14s)-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-4-yl] ester
  • acetic acid [(8r,9s,10r,13s,14s)-3,17-diketo-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-4-yl] ester
  • androst-4-ene-3,17-dione, 4-(acetyloxy)-
  • androst-4-ene-3,17-dione, 4-hydroxy-, acetate (ester)
CAS Number(s)
  • 61630-32-8
InChIKey LRXSFNGKRCOHRS-VMRCMBGLSA-N
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