Chemical Properties of 17Alpha-acetoxy-6alpha-methyl-pregn-4-ene-3,20-dione (CAS 560-12-3)

17Alpha-acetoxy-6alpha-methyl-pregn-4-ene-3,20-dione

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InChI
InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18?,19?,20?,22?,23?,24-/m1/s1
InChI Key
PSGAAPLEWMOORI-JTOXMAKQSA-N
Formula
C24H34O4
SMILES
CC(=O)OC1(C(C)=O)CCC2C3CC(C)C4=CC(=O)CCC4(C)C3CCC21C
Molecular Weight1
386.52
CAS
560-12-3
Sources

Physical Properties

Property Value Unit Source
Δf -171.00 kJ/mol Joback Calculated Property
Δfgas -742.36 kJ/mol Joback Calculated Property
Δfus 29.00 kJ/mol Joback Calculated Property
Δvap 86.25 kJ/mol Joback Calculated Property
logPoct/wat 4.66 Crippen Calculated Property
Pc 1396.46 kPa Joback Calculated Property
Tboil 985.66 K Joback Calculated Property
Tc 1235.06 K Joback Calculated Property
Tfus 676.97 K Joback Calculated Property
Vc 1.18 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1176.88 J/mol×K 985.66 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (ring) 1
=CH- (ring) 1
=C< (ring) 1
>C< (ring) 3
>C=O (nonring) 2
-CH3 5
>CH- (ring) 4
-CH2- (ring) 7

Similar Compounds

Medroxyprogesterone acetate. Hydroxyprogesterone Caproate. 17«alpha»,21-Dihydroxypregn-4-en-3,20-dione, 17,21-anhydro (oxetanone). Megestrol acetate. Pregn-4-ene-3,20-dione, 16,17-epoxy-, (16«alpha»)-. Spiro[cyclopropane-1,6'-[17alpha]pregn-4'-ene]-21'-carboxylic acid, 17'beta-hydroxy-3'-oxo-, gamma-lactone. 17«alpha»-Hydroxyprogesterone. 17«alpha»-Hydroxyprogesterone. Testosterone acetate. Epitestosterone, propionate. Testosterone propionate. 11Beta,17alpha-dihydroxy-2alpha,21-diacetoxypregna-4-ene-3,20-dione. 11Beta,17alpha-dihydroxy-2beta,21-diacetoxypregn-4-ene-3,20-dione. Epitestosterone, butyrate. Testosterone Decanoate.

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