Chemical Properties of 21-Acetoxy-11beta,17alpha,20alpha-trihydroxypregna-1,4-dien-3-one (CAS 2871-71-8)

21-Acetoxy-11beta,17alpha,20alpha-trihydroxypregna-1,4-dien-3-one

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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/h6,8,10,16-20,26-28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,19+,20+,21-,22-,23-/m1/s1
InChI Key
TYKFSLOWQCQNQJ-MXUWMZRMSA-N
Formula
C23H32O6
SMILES
CC(=O)OCC(O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C
Molecular Weight1
404.50
CAS
2871-71-8
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Physical Properties

Property Value Unit Source
Δf -433.44 kJ/mol Joback Calculated Property
Δfgas -1013.33 kJ/mol Joback Calculated Property
Δfus 34.78 kJ/mol Joback Calculated Property
Δvap 127.22 kJ/mol Joback Calculated Property
log10WS -3.80 Crippen Calculated Property
logPoct/wat 1.920 Crippen Calculated Property
McVol 309.510 ml/mol McGowan Calculated Property
Pc 1853.11 kPa Joback Calculated Property
Tboil 1184.17 K Joback Calculated Property
Tc 1454.37 K Joback Calculated Property
Tfus 783.99 K Joback Calculated Property
Vc 1.157 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1347.83; 1759.45] J/mol×K [1184.17; 1454.37] Show Hide
Cp,gas 1347.83 J/mol×K 1184.17 Joback Calculated Property
Cp,gas 1400.90 J/mol×K 1229.20 Joback Calculated Property
Cp,gas 1459.34 J/mol×K 1274.24 Joback Calculated Property
Cp,gas 1523.78 J/mol×K 1319.27 Joback Calculated Property
Cp,gas 1594.86 J/mol×K 1364.30 Joback Calculated Property
Cp,gas 1673.21 J/mol×K 1409.34 Joback Calculated Property
Cp,gas 1759.45 J/mol×K 1454.37 Joback Calculated Property

Similar Compounds

Pregna-1,4-dien-3-one, 11beta,17alpha,20,21-tetrahydroxy-, 21-acetate. Budesonide. Prednisolone Acetate. Triamcinolone Acetonide. Triamcinolone diacetate. 11Beta,17alpha-dihydroxy-2beta,21-diacetoxypregn-4-ene-3,20-dione. 11Beta,17alpha-dihydroxy-2alpha,21-diacetoxypregna-4-ene-3,20-dione. Betamethasone dipropionate. Prednisolone. «gamma»-Ponalactone. Triamcinolone. Betamethasone-17-valerate. Dexamethasone-21-acetate. prednisolone-21-trimethylacetate. Methylprednisolone.

Find more compounds similar to 21-Acetoxy-11beta,17alpha,20alpha-trihydroxypregna-1,4-dien-3-one.

Sources

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