Chemical Properties of Pregn-4-ene-3,20-dione,11beta,17alpha,21-trihydroxy-,21 acetate (CAS 61376-87-2)

Pregn-4-ene-3,20-dione,11beta,17alpha,21-trihydroxy-,21 acetate

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InChI
InChI=1S/C23H32O6/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/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3
InChI Key
ALEXXDVDDISNDU-UHFFFAOYSA-N
Formula
C23H32O6
SMILES
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C
Molecular Weight1
404.50
CAS
61376-87-2
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Physical Properties

Property Value Unit Source
Δf -453.06 kJ/mol Joback Calculated Property
Δfgas -1026.18 kJ/mol Joback Calculated Property
Δfus 34.59 kJ/mol Joback Calculated Property
Δvap 117.38 kJ/mol Joback Calculated Property
log10WS -3.85 Crippen Calculated Property
logPoct/wat 2.352 Crippen Calculated Property
McVol 309.510 ml/mol McGowan Calculated Property
Pc 1741.91 kPa Joback Calculated Property
Tboil 1147.14 K Joback Calculated Property
Tc 1404.43 K Joback Calculated Property
Tfus 787.34 K Joback Calculated Property
Vc 1.163 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1308.14; 1659.18] J/mol×K [1147.14; 1404.43] Show Hide
Cp,gas 1308.14 J/mol×K 1147.14 Joback Calculated Property
Cp,gas 1354.32 J/mol×K 1190.02 Joback Calculated Property
Cp,gas 1404.71 J/mol×K 1232.90 Joback Calculated Property
Cp,gas 1459.86 J/mol×K 1275.78 Joback Calculated Property
Cp,gas 1520.29 J/mol×K 1318.67 Joback Calculated Property
Cp,gas 1586.56 J/mol×K 1361.55 Joback Calculated Property
Cp,gas 1659.18 J/mol×K 1404.43 Joback Calculated Property

Similar Compounds

Hydrocortisone Acetate. hydrocortisone tebutate. 11Beta,17alpha-dihydroxy-2beta,21-diacetoxypregn-4-ene-3,20-dione. 11Beta,17alpha-dihydroxy-2alpha,21-diacetoxypregna-4-ene-3,20-dione. Prednisolone Acetate. Hydrocortisone. 11Beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione. Hydrocortamate. prednisolone-21-trimethylacetate. 6Alpha,21-diacetoxy-11beta,17alpha-dihydroxypregn-4-ene-3,20-dione. 2Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione. 6Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-doine. Prednisolone. 4-Pregnene-3,11,20-trione, 17alpha,21-dihydroxy-, 21-acetate. Cortisone Acetate.

Find more compounds similar to Pregn-4-ene-3,20-dione,11beta,17alpha,21-trihydroxy-,21 acetate.

Sources

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