Chemical Properties of CORTISONE

CORTISONE

InChI
InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
InChI Key
MFYSYFVPBJMHGN-YKAMNDFBSA-N
Formula
C21H28O5
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
Molecular Weight1
360.45
Other Names
  • 11-Dehydro-17-hydroxycorticosterone
  • 17,21-Dihydroxypregn-4-ene-3,11,20-trione
  • 17-Hydroxy-11-dehydrocorticosterone
  • 17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
  • 17«alpha»,21-Dihydroxy-4-pregnene-3,11,20-trione
  • 17«alpha»,21«beta»-Dihydroxypregn-4-ene-3,11,20-trione
  • 17«alpha»-Hydroxy-11-dehydrocorticosterone
  • 4-Pregnene-17«alpha»,21-diol-3,11,20-trione
  • Adrenalex
  • Andreson
  • Compound E
  • Cortandren
  • Cortisal
  • Cortisate
  • Cortisona
  • Cortistal
  • Cortivite
  • Cortogen
  • Cortone
  • KE
  • Kendall's Compound E
  • NSC 9703
  • Pregn-4-en-17«alpha»,21-diol-3,11,20-trione
  • Pregn-4-ene-3,11,20-trione, 17,21-dihydroxy-
  • Reichstein Fa
  • Reichstein's Substance FA
  • Wintersteiner's Compound F
  • «DELTA»4-pregnene-17«alpha»,21-diol-3,11,20-trione
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Physical Properties

Property Value Unit Source
ΔcH°solid -11200.00 ± 20.00 kJ/mol NIST
ΔfusH° 25.06 kJ/mol Joback Calculated Property
log10WS [-3.27; -3.11]   Show Hide
log10WS -3.17 Aq. Solubility Prediction
log10WS -3.11 Aq. Solubility Prediction
log10WS -3.11 Estimated Solubility
log10WS -3.27 Rytting (2005)
logPoct/wat 1.990 Crippen Calculated Property
McVol 275.460 ml/mol McGowan Calculated Property
Tfus [496.65; 496.90] K Show Hide
Tfus 496.65 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 496.90 K Aq. Solubility Prediction

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 36.86 kJ/mol 495.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [360.23; 1056.17] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.67989e+02
Coefficient B2.96504e+00
Coefficient C-2.72874e-03
Coefficient D1.08786e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 360.23 J/mol×K 273.00 Calculated Property
Cp,gas 487.62 J/mol×K 353.78 Calculated Property
Cp,gas 594.47 J/mol×K 434.56 Calculated Property
Cp,gas 684.21 J/mol×K 515.33 Calculated Property
Cp,gas 760.29 J/mol×K 596.11 Calculated Property
Cp,gas 826.15 J/mol×K 676.89 Calculated Property
Cp,gas 885.23 J/mol×K 757.67 Calculated Property
Cp,gas 940.96 J/mol×K 838.44 Calculated Property
Cp,gas 996.80 J/mol×K 919.22 Calculated Property
Cp,gas 1056.17 J/mol×K 1000.00 Calculated Property

Similar Compounds

17Alpha,21dihydroxy progesterone. Prednisone. Cortisone Acetate. 4-Pregnene-3,11,20-trione, 17alpha,21-dihydroxy-, 21-acetate. Hydrocortisone. 11Beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione. 17«alpha»-Hydroxyprogesterone. 17«alpha»-Hydroxyprogesterone. 17Alpha,21-dihydroxypregna-1,4-diene-3,20-dione. 14Alpha,21-dihydroxypregn-4-ene-3,20-dione. 2Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione. Methyl 17A-hydroxy-3-oxoandrost-4-ene-17B-carboxylate. 6Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-doine. 9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one. Prednisolone.

Find more compounds similar to CORTISONE.

Sources

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