(16α)-16-Azido-3-Methoxyestra-1,3,5(10)-Trien-17-One

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Properties Simple | Detailed

Formula C19H24N3O2
IUPAC Name (8r,9s,13s,14s,16r)-16-azido-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
Molecular Mass 326.413 g·mol−1
Heat of Formation -7.7 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 396.89 Å 3
Surface Area 335.47 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 2.89 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,16r)-16-azido-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
  • 16-azido-3-methoxyestra-1,3,5(10)-trien-17-one
CAS Number(s)
  • 51946-38-4
InChIKey CHIQFWSFQDADKY-ILYVXUQDSA-N
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