3A,17A-Dihydroxy-5A-Androstane

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Properties Simple | Detailed

Formula C19H32O2
IUPAC Name (3r,5s,8r,9s,10s,13s,14s,17r)-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 -616.8 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 383.09 Å 3
Surface Area 303.24 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy 3.08 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5s,8r,9s,10s,13s,14s,17r)-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
  • 3alpha,17alpha-dihydroxy-5alpha-androstane
  • 5alpha-androstane-3alpha,17alpha-diol
InChIKey CBMYJHIOYJEBSB-CUZKMJQKSA-N
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