(17β)-17-Hydroxyestra-1,3,5(10)-Trien-3-Yl Sulfamate

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Properties Simple | Detailed

Formula C18H25NO4S
IUPAC Name [(8r,9s,13s,14s,17s)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate
Molecular Mass 351.460 g·mol−1
Heat of Formation -719.6 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 404.8 Å 3
Surface Area 342.14 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • [(8r,9s,13s,14s,17s)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate
  • j-995
  • sulfamic acid [(8r,9s,13s,14s,17s)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester
InChIKey YXYXCSOJKUAPJI-ZBRFXRBCSA-N
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