3-Methoxy-4-Nitroestra-1,3,5(10)-Trien-17-One

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Properties Simple | Detailed

Formula C19H23NO4
IUPAC Name (8r,9s,13s,14s)-3-methoxy-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
Molecular Mass 329.390 g·mol−1
Heat of Formation -356.1 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 388.98 Å 3
Surface Area 326.45 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s)-3-methoxy-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
  • (8r,9s,13s,14s)-4-(hydroxy-oxido-amino)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
  • (8r,9s,13s,14s)-4-(hydroxy-oxidoamino)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
  • (8r,9s,13s,14s)-n-hydroxy-17-keto-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-4-amine oxide
  • (8r,9s,13s,14s)-n-hydroxy-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-4-amine oxide
  • 4-nitroestrone 3-methyl ether
  • estra-1,3,5(10)-trien-17-one, 3-methoxy-4-nitro-
  • estra-1,3,5[10]-trien-17-one, 3-methoxy-4-nitro-
CAS Number(s)
  • 14846-62-9
InChIKey QDFCXLJPTBSDPF-BFDPJXHCSA-N
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