Chemical Properties of 17Alpha,21dihydroxy progesterone (CAS 601-05-8)

17Alpha,21dihydroxy progesterone

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InChI
InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3
InChI Key
WHBHBVVOGNECLV-UHFFFAOYSA-N
Formula
C21H30O4
SMILES
CC12CCC3C(CCC4=CC(=O)CCC43C)C1CCC2(O)C(=O)CO
Molecular Weight1
346.46
CAS
601-05-8
Sources

Physical Properties

Property Value Unit Source
Δf -228.27 kJ/mol Joback Calculated Property
Δfgas -719.76 kJ/mol Joback Calculated Property
Δfus 25.55 kJ/mol Joback Calculated Property
Δvap 104.09 kJ/mol Joback Calculated Property
logPoct/wat 2.81 Crippen Calculated Property
Pc 2034.55 kPa Joback Calculated Property
Tboil 1029.76 K Joback Calculated Property
Tc 1268.13 K Joback Calculated Property
Tfus 696.88 K Joback Calculated Property
Vc 1.03 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1081.15 J/mol×K 1029.76 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CH3 2
=CH- (ring) 1
-OH (alcohol) 2
=C< (ring) 1
-CH2- 1
>C< (ring) 3
>C=O (nonring) 1
>CH- (ring) 3
-CH2- (ring) 8
>C=O (ring) 1

Similar Compounds

17«alpha»-Hydroxyprogesterone. 17«alpha»-Hydroxyprogesterone. Cortisone. 11Beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione. Hydrocortisone. 17Alpha,21-dihydroxypregna-1,4-diene-3,20-dione. 14Alpha,21-dihydroxypregn-4-ene-3,20-dione. 2Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione. 17«alpha»,21-Dihydroxypregn-4-en-3,20-dione, 17,21-anhydro (oxetanone). Pregn-5-en-20-one, 3,17-dihydroxy-, (3«beta»)-. 6Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-doine. Androsten-17-(beta)-ol-3-one, 17(alpha)-methyl-delta^4-. Calusterone. Bolasterone. 17-epi-Methyltestosterone.

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