5α,17α-Pregn-2-En-20-Yn-17-Ol Acetate

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Properties Simple | Detailed

Formula C23H32O2
IUPAC Name [(5s,8r,9s,10s,13s,14s,17r)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 340.499 g·mol−1
Heat of Formation -283.1 ± 16.7 kJ·mol−1
Dipole Moment 2.19 ± 1.08 D
Volume 447.8 Å 3
Surface Area 351.94 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 17-beta-acetoxy-5-alpha,17-alpha-pregn-2-ene-20-yne
  • 17-ethynylandrost-2-ene-17-ol-17-acetate
  • 17alpha-ethynyl-5alpha-androst-2-en 17beta-acetate
  • 17beta-acetoxy-5alpha,17alpha-pregn-2-ene-20-yne
  • 5-alpha,17-alpha-pregn-2-en-20-yn-17-ol, acetate
  • [(5s,8r,9s,10s,13s,14s,17r)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(5s,8r,9s,10s,13s,14s,17r)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(5s,8r,9s,10s,13s,14s,17r)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
  • pregn-2-en-20-yn-17-ol, acetate, (5-alpha,17-alpha)-
  • pregn-2-en-20-yn-17-ol, acetate, (5alpha,17alpha)-
  • regonyl
  • tx 380
CAS Number(s)
  • 124-85-6
InChIKey SQRBBVVZRKZEPF-OWNQEUAMSA-N
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