(3β,7Alpha)-3,7-Dihydroxyandrost-5-En-17-One

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Properties Simple | Detailed

Formula C19H28O3
IUPAC Name (3s,7s,8r,9s,10r,13s,14s)-3,7-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 -662.1 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 383.68 Å 3
Surface Area 304.54 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,7s,8r,9s,10r,13s,14s)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
  • 7-hydroxydehydroepiandrosterone
  • 7alpha-hydroxydehydroepiandrosterone
  • androst-5-en-17-one, 3,7-dihydroxy-, (3beta,7alpha)-
CAS Number(s)
  • 53-00-9
InChIKey OLPSAOWBSPXZEA-JIEICEMKSA-N
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