16A-Hydroxydehydroisoandrosterone

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Properties Simple | Detailed

Formula C19H28O3
IUPAC Name (3s,8r,9s,10r,13s,14s,16r)-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Molecular Mass 304.424 g·mol−1
Heat of Formation -642.7 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 383.91 Å 3
Surface Area 309.11 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta,16alpha)-3,16-dihydroxyandrost-5-en-17-one
  • (3s,8r,9s,10r,13s,14s,16r)-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
  • 16-hydroxydehydroepiandrosterone
  • 16alpha-hydroxydehydroepiandrosterone
  • 16alpha-hydroxydehydroepiandrosterone sulfate
  • 16alpha-hydroxydehydroisoandrosterone
  • 3beta,16alpha-dihydroxy-5-androsten-17-one
  • 3beta,16alpha-dihydroxyandrost-5-en-17-one
  • 3beta,16beta-dihydroxyandrost-5-en-17-one
  • 5-androstene-3beta,16alpha-diol-17-one
  • lmst02020064
CAS Number(s)
  • 1232-73-1
InChIKey QQIVKFZWLZJXJT-DNKQKWOHSA-N
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