(17β)-3-Hydroxy-2-Methoxyestra-1(10),2,4-Trien-17-Yl Sulfamate

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Properties Simple | Detailed

Formula C19H27NO5S
IUPAC Name [(8r,9s,13s,14s,17s)-3-hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] sulfamate
Molecular Mass 381.486 g·mol−1
Heat of Formation -880.9 ± 16.7 kJ·mol−1
Dipole Moment 4.31 ± 1.08 D
Volume 441.69 Å 3
Surface Area 366.17 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 3.14 ± eV
Point Group Symmetry C1
Synonyms
  • [(8r,9s,13s,14s,17s)-3-hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] sulfamate
  • sulfamic acid [(8r,9s,13s,14s,17s)-3-hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
InChIKey AOEHUXLJSHGXHN-SSTWWWIQSA-N
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