3,20-Dioxopregn-4-En-21-Yl 1-Hydroxy-2,2,5,5-Tetramethyl-2,5-Dihydro-1H-Pyrrole-3-Carboxylate

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Formula C30H43NO5
IUPAC Name [5-[2-[(8s,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-2-methylene-5-oxo-pent-3-ynyl]-oxido-azanide; prop-1-yne
Molecular Mass 497.666 g·mol−1
Heat of Formation -864.5 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 629.73 Å 3
Surface Area 486.39 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
Synonyms
  • 1-hydroxy-2,2,5,5-tetramethyl-3-pyrrolecarboxylic acid [2-[(8s,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
  • 1-hydroxy-2,2,5,5-tetramethyl-3-pyrroline-3-carboxylic acid [2-keto-2-[(8s,9s,10r,13s,14s,17s)-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethyl] ester
  • [2-[(8s,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 1-hydroxy-2,2,5,5-tetramethyl-pyrrole-3-carboxylate
  • [2-[(8s,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate
  • deoxycorticosterone nitroxide
  • desoxycorticosterone nitroxide
  • pregn-4-ene-3,20-dione, 21-(((2,5-dihydro-2,2,5,5-tetramethyl-1-oxy-1h-pyrrol-3-yl)carbonyl)oxy)-
CAS Number(s)
  • 69081-49-8
InChIKey UMNIRIWVFVQFDF-RHAVWAHXSA-N
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