4-Ethenylidene-5α-Androstane-3Beta,17Beta-Diol

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Properties Simple | Detailed

Formula C21H32O2
IUPAC Name (3s,5r,8r,9s,10r,13s,14s,17s)-10,13-dimethyl-4-vinylidene-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 316.478 g·mol−1
Heat of Formation -437.9 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 419.02 Å 3
Surface Area 329.16 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,8r,9s,10r,13s,14s,17s)-10,13-dimethyl-4-vinylidene-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
  • (3s,5r,8r,9s,10r,13s,14s,17s)-4-ethenylidene-10,13-dimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
  • 4-edad
  • 4-ethenylideneandrostane-3,17-diol
  • androstane-3,17-diol, 4-ethenylidene-, (3beta,5alpha,17beta)-
CAS Number(s)
  • 84958-36-1
InChIKey ZUQFXGCGZLSJOJ-QKSWPAOXSA-N
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