(17β)-2-Ethyl-17-Hydroxyestra-1(10),2,4-Trien-3-Yl Sulfamate

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Formula C20H29NO4S
IUPAC Name [(8r,9s,13s,14s,17s)-2-ethyl-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate
Molecular Mass 379.514 g·mol−1
Heat of Formation -773.3 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 447.62 Å 3
Surface Area 368.15 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • sulfamic acid [(8r,9s,13s,14s,17s)-2-ethyl-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester
InChIKey POSDSPVRJAJSEI-SSGANFLRSA-N
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