3Β-Androstanediol

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Properties Simple | Detailed

Formula C19H32O2
IUPAC Name (3s,5s,8r,9s,10s,13s,14s,17s)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 292.456 g·mol−1
Heat of Formation -627.6 ± 16.7 kJ·mol−1
Dipole Moment 2.28 ± 1.08 D
Volume 384.89 Å 3
Surface Area 304.65 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy 2.89 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta,5alpha,17beta)-androstane-3,17-diol
  • (3s,5s,8r,9s,10s,13s,14s,17s)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,17-diol
  • 3.beta.,17.beta.-androstanediol
  • 3.beta.,17.beta.-dihydroxy-5.alpha.-androstane
  • 3beta androstanediol
  • 3beta-androstanediol
  • 5-alpha-androstane-3-beta,17beta-diol
  • 5.alpha.-androstane-3.beta.,17.beta.-diol
  • 5alpha-androstan-3beta,17beta-diol
  • androstane-3,17-diol, (3.beta.,5.alpha.,17.beta.)-
CAS Number(s)
  • 571-20-0
InChIKey CBMYJHIOYJEBSB-YSZCXEEOSA-N
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