4-{[(11β)-11-Hydroxy-3,20-Dioxopregn-4-En-21-Yl]Oxy}-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C25H34O7
IUPAC Name 4-[2-[(8s,9s,10r,11s,13s,14s,17s)-11-hydroxy-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]-4-oxo-butanoic acid
Molecular Mass 446.533 g·mol−1
Heat of Formation -1393.1 ± 16.7 kJ·mol−1
Dipole Moment 2.83 ± 1.08 D
Volume 536.36 Å 3
Surface Area 400.97 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[2-[(8s,9s,10r,11s,13s,14s,17s)-11-hydroxy-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]-4-oxo-butanoic acid
  • 4-[2-[(8s,9s,10r,11s,13s,14s,17s)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid
  • 4-[2-[(8s,9s,10r,11s,13s,14s,17s)-11-hydroxy-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethoxy]-4-keto-butyric acid
  • corticosterone 21-hemisuccinate
  • corticosterone hemisuccinate
  • corticosterone-21-hemisuccinate
  • pregn-4-ene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11-hydroxy-, (11beta)-
CAS Number(s)
  • 10215-77-7
InChIKey KEECMXYFGNWLEA-BIGDRKAKSA-N
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