(1α,3Beta)-1,3-Dihydroxyandrost-5-En-17-One

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Properties Simple | Detailed

Formula C19H28O3
IUPAC Name (1s,3r,8r,9s,10r,13s,14s)-1,3-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 -654.3 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 385.17 Å 3
Surface Area 305.89 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy 1.05 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3r,8r,9s,10r,13s,14s)-1,3-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
  • 1-hydroxydehydroepiandrosterone
  • 1-oh-dhas
  • androst-5-en-17-one, 1,3-dihydroxy-, (1alpha,3beta)-
CAS Number(s)
  • 20998-18-9
InChIKey WWUWPHTVCBJAFV-DYXPHYEZSA-N
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