Chemical Properties of 4-Pregnene-3,11,20-trione, 17alpha,21-dihydroxy-, 21-acetate (CAS 96843-92-4)

4-Pregnene-3,11,20-trione, 17alpha,21-dihydroxy-, 21-acetate

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InChI
InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3
InChI Key
ITRJWOMZKQRYTA-UHFFFAOYSA-N
Formula
C23H30O6
SMILES
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC21C
Molecular Weight1
402.48
CAS
96843-92-4
Other Names
  • 17Alpha,21 dihydroxypregna-4-ene-3,11,20-trione,21 acetate
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Physical Properties

Property Value Unit Source
Δf -431.12 kJ/mol Joback Calculated Property
Δfgas -991.31 kJ/mol Joback Calculated Property
Δfus 28.94 kJ/mol Joback Calculated Property
Δvap 105.26 kJ/mol Joback Calculated Property
log10WS -3.75 Crippen Calculated Property
logPoct/wat 2.561 Crippen Calculated Property
McVol 305.210 ml/mol McGowan Calculated Property
Pc 1707.53 kPa Joback Calculated Property
Tboil 1127.45 K Joback Calculated Property
Tc 1385.62 K Joback Calculated Property
Tfus 798.98 K Joback Calculated Property
Vc 1.153 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1258.01; 1576.91] J/mol×K [1127.45; 1385.62] Show Hide
Cp,gas 1258.01 J/mol×K 1127.45 Joback Calculated Property
Cp,gas 1300.55 J/mol×K 1170.48 Joback Calculated Property
Cp,gas 1346.67 J/mol×K 1213.51 Joback Calculated Property
Cp,gas 1396.87 J/mol×K 1256.53 Joback Calculated Property
Cp,gas 1451.65 J/mol×K 1299.56 Joback Calculated Property
Cp,gas 1511.50 J/mol×K 1342.59 Joback Calculated Property
Cp,gas 1576.91 J/mol×K 1385.62 Joback Calculated Property

Similar Compounds

Cortisone Acetate. Cortisone. Hydrocortisone Acetate. Pregn-4-ene-3,20-dione,11beta,17alpha,21-trihydroxy-,21 acetate. hydrocortisone tebutate. Prednisone. 17Alpha,21dihydroxy progesterone. Prednisolone Acetate. Pregn-4-ene-3,20-dione, 9alpha-fluoro-11,17alpha,21-trihydroxy-, 21- acetate. Methyl 17A-hydroxy-3-oxoandrost-4-ene-17B-carboxylate. Hydrocortamate. 17«alpha»,20«beta»,21-Trihydroxypregn-4-en-3-one, acetonide. 11Beta,17alpha-dihydroxy-2alpha,21-diacetoxypregna-4-ene-3,20-dione. 11Beta,17alpha-dihydroxy-2beta,21-diacetoxypregn-4-ene-3,20-dione. Hydrocortisone.

Find more compounds similar to 4-Pregnene-3,11,20-trione, 17alpha,21-dihydroxy-, 21-acetate.

Sources

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