(2β,3Alpha,5Alpha,16β,17β)-2,16-Di(1-Piperidinyl)Androstane-3,17-Diyl Bis(2,2-Dimethylpropanoate)

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Properties Simple | Detailed

Formula C39H66N2O4
IUPAC Name [(2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-3-(2,2-dimethylpropanoyloxy)-10,13-dimethyl-2,16-di(piperidin-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate
Molecular Mass 626.952 g·mol−1
Heat of Formation -1131.7 ± 16.7 kJ·mol−1
Dipole Moment 2.16 ± 1.08 D
Volume 831.73 Å 3
Surface Area 600.73 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy 4.34 ± eV
Point Group Symmetry C1
Synonyms
  • 2,16-dipiperidinoandrostane-3,17-diol dipivalate
  • 2,2-dimethylpropanoic acid [(2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-3-(2,2-dimethyl-1-oxopropoxy)-10,13-dimethyl-2,16-bis(1-piperidyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • 2,2-dimethylpropionic acid [(2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-10,13-dimethyl-2,16-dipiperidino-3-pivaloyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • 2-beta,16-beta-dipiperidino-5-alpha-androstan-3-alpha,17-beta-diol dipivalate hydrochloride
  • 5-alpha-androstan-3-alpha,17-beta-diol, 2-beta,16-beta-dipiperidino-, dipivalate, dihydrochloride
  • [(2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-3-(2,2-dimethylpropanoyloxy)-10,13-dimethyl-2,16-bis(1-piperidyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate
  • androstane-3,17-diol, 2,16-di-1-piperidinyl-, bis(2,2-dimethylpropanoate) (ester), (2beta,3alpha,5alpha,16beta,17beta)-
CAS Number(s)
  • 63665-41-8
InChIKey UAXYDQGRJRUBNC-ZMFKFFRCSA-N
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