5α-Androstane-3α,17Beta-Diol Dipropionate

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Properties Simple | Detailed

Formula C25H40O4
IUPAC Name [(3r,5s,8r,9s,10s,13s,14s,17s)-10,13-dimethyl-17-propanoyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl] propanoate
Molecular Mass 404.583 g·mol−1
Heat of Formation -1053.2 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 527.95 Å 3
Surface Area 409.13 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy 1.22 ± eV
Point Group Symmetry C1
Synonyms
  • 5.alpha.-androstane-3.alpha.,17.beta.-diol, dipropionate
  • 5alpha-androstane-3alpha,17beta-diol, dipropionate
  • [(3r,5s,8r,9s,10s,13s,14s,17s)-10,13-dimethyl-3-propanoyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] propanoate
  • androstane-3,17-diol dipropionate
  • androstane-3,17-diol, dipropanoate, (3alpha,5alpha,17beta)-
  • androstanediol dipropionate
  • propanoic acid [(3r,5s,8r,9s,10s,13s,14s,17s)-10,13-dimethyl-3-(1-oxopropoxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • propionic acid [(3r,5s,8r,9s,10s,13s,14s,17s)-10,13-dimethyl-3-propionyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
CAS Number(s)
  • 4350-14-5
InChIKey FWAYUWSHYLKUEY-LFWYWRBCSA-N
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