(2β,3Alpha,5Alpha)-3-(Dimethylamino)-2-Hydroxyandrostan-17-One

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Formula C21H35NO2
IUPAC Name (2s,3s,5s,8r,9s,10s,13s,14s)-3-(dimethylamino)-2-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Molecular Mass 333.508 g·mol−1
Heat of Formation -539.3 ± 16.7 kJ·mol−1
Dipole Moment 4.56 ± 1.08 D
Volume 438.39 Å 3
Surface Area 341.17 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 1.04 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,5s,8r,9s,10s,13s,14s)-3-dimethylamino-2-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
  • 3alpha-dimethylamino-5alpha-androstan-2beta-ol-17-one
  • androstan-17-one, 3-(dimethylamino)-2-hydroxy-, (2beta,3alpha,5alpha)-
  • org na13
CAS Number(s)
  • 18668-43-4
InChIKey DVAHILXRUJUKPS-MNZDUMJDSA-N
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