2-Methoxy-17-Oxoestra-1(10),2,4-Trien-3-Yl Sulfamate

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Formula C19H25NO5S
IUPAC Name [(8r,9s,13s,14s)-2-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] sulfamate
Molecular Mass 379.471 g·mol−1
Heat of Formation -822.1 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 433.65 Å 3
Surface Area 362.4 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • [(8r,9s,13s,14s)-2-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] sulfamate
  • sulfamic acid [(8r,9s,13s,14s)-17-keto-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] ester
  • sulfamic acid [(8r,9s,13s,14s)-2-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] ester
InChIKey BTQHAWWINOTNQQ-QPWUGHHJSA-N
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