(3β,15Alpha)-3,15-Dihydroxyandrost-5-En-17-One

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Properties Simple | Detailed

Formula C19H28O3
IUPAC Name (3s,8r,9s,10r,13s,14s,15s)-3,15-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 -659.8 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 382.9 Å 3
Surface Area 307.52 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8r,9s,10r,13s,14s,15s)-3,15-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
  • 15-hydroxydehydroisoandrosterone
  • 15alpha-hydroxydehydroisoandrosterone
  • androst-5-en-17-one, 3,15-dihydroxy-, (3beta,15alpha)-
CAS Number(s)
  • 38391-29-6
InChIKey SWXQUEHVFFSZOW-CRYRVXFVSA-N
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