(2S,3α,17Beta)-(2-~3~H_1_)Estr-4-Ene-3,17-Diyl Diacetate

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Properties Simple | Detailed

Formula C22H32O4
IUPAC Name [(3s,8r,9s,10r,13s,14s,17s)-17-acetoxy-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 360.487 g·mol−1
Heat of Formation -904.8 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 456.24 Å 3
Surface Area 380.68 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy 0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 3beta,17beta-diacetoxy-4-estrene
  • [(2s,3s,8r,9s,10r,13s,14s,17s)-3-acetoxy-13-methyl-2-tritio-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(2s,3s,8r,9s,10r,13s,14s,17s)-3-acetyloxy-13-methyl-2-tritio-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(2s,3s,8r,9s,10r,13s,14s,17s)-3-acetyloxy-13-methyl-2-tritio-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(2s,3s,8r,9s,10r,13s,14s,17s)-3-acetoxy-13-methyl-2-tritio-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ester
  • estr-4-ene-2-t-3,17-diol, diacetate, (2beta,3beta,17beta)-
CAS Number(s)
  • 51154-02-0
InChIKey XAJLLTOCAVCFMD-ADYLLLEXSA-N
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