Chemical Properties of 11Beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione (CAS 116907-82-5)

11Beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione

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InChI
InChI=1S/C21H30O5/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/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3
InChI Key
JYGXADMDTFJGBT-UHFFFAOYSA-N
Formula
C21H30O5
SMILES
CC12CC(O)C3C(CCC4=CC(=O)CCC43C)C1CCC2(O)C(=O)CO
Molecular Weight1
362.46
CAS
116907-82-5
Other Names
  • 17Alpha-hydroxycorticosterone
Sources

Physical Properties

Property Value Unit Source
Δf -372.80 kJ/mol Joback Calculated Property
Δfgas -892.33 kJ/mol Joback Calculated Property
Δfus 30.71 kJ/mol Joback Calculated Property
Δvap 120.46 kJ/mol Joback Calculated Property
logPoct/wat 1.78 Crippen Calculated Property
Pc 2147.32 kPa Joback Calculated Property
Tboil 1117.27 K Joback Calculated Property
Tc 1367.94 K Joback Calculated Property
Tfus 753.46 K Joback Calculated Property
Vc 1.05 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1185.49 J/mol×K 1117.27 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C=O (nonring) 1
=CH- (ring) 1
-OH (alcohol) 3
=C< (ring) 1
-CH2- 1
-CH3 2
>C< (ring) 3
>C=O (ring) 1
>CH- (ring) 4
-CH2- (ring) 7

Similar Compounds

Hydrocortisone. 2Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione. 6Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-doine. Pregn-4-ene-3,20-dione,11beta,17alpha,21-trihydroxy-,21 acetate. Hydrocortisone Acetate. Methylprednisolone. Prednisolone. 17Alpha,21dihydroxy progesterone. 17«alpha»-Hydroxyprogesterone. 17«alpha»-Hydroxyprogesterone. 11Beta,21-dihydroxypregn-4-ene-3,20-dione. Hydrocortamate. 11«alpha»-Hydroxy-17«alpha»-methyl testosterone. Cortisone. 1,4-Pregnadiene-3,20-dione, 11beta,17alpha,21-trihydroxy-, acetate.

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