(11β)-11,21-Dihydroxy-3,20-Dioxopregna-1,4-Dien-17-Yl Ethyl Carbonate

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Properties Simple | Detailed

Formula C24H32O7
IUPAC Name ethyl [(8s,9s,10r,11s,13s,14s,17r)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] carbonate
Molecular Mass 432.507 g·mol−1
Heat of Formation -1223.5 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 509.27 Å 3
Surface Area 400.39 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • 17-((ethoxycarbonyl)oxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione (11beta)-
  • carbonic acid ethyl [(8s,9s,10r,11s,13s,14s,17r)-17-glycoloyl-11-hydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] ester
  • ethyl [(8s,9s,10r,11s,13s,14s,17r)-11-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] carbonate
  • pred-17-etc
  • prednisolone 17-ethylcarbonate
  • pregna-1,4-diene-3,20-dione, 17-((ethoxycarbonyl)oxy)-11,21-dihydroxy-, (11beta)-
CAS Number(s)
  • 104286-02-4
InChIKey CWVNDXWCEADDCU-ZJUZSDNKSA-N
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