Chemical Properties of 16Beta-carboxy-17alpha-pregn-5-en-3beta-ol-20-one-3-acetate (CAS 1434-62-4)

16Beta-carboxy-17alpha-pregn-5-en-3beta-ol-20-one-3-acetate

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InChI
InChI=1S/C24H34O5/c1-13(25)21-18(22(27)28)12-20-17-6-5-15-11-16(29-14(2)26)7-9-23(15,3)19(17)8-10-24(20,21)4/h5,16-21H,6-12H2,1-4H3,(H,27,28)
InChI Key
VCRJNQOFXWUBMO-UHFFFAOYSA-N
Formula
C24H34O5
SMILES
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C3CC(C(=O)O)C2C(C)=O)C1
Molecular Weight1
402.52
CAS
1434-62-4
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Physical Properties

Property Value Unit Source
Δf -316.37 kJ/mol Joback Calculated Property
Δfgas -905.05 kJ/mol Joback Calculated Property
Δfus 42.55 kJ/mol Joback Calculated Property
Δvap 106.27 kJ/mol Joback Calculated Property
log10WS -4.96 Crippen Calculated Property
logPoct/wat 4.397 Crippen Calculated Property
McVol 317.730 ml/mol McGowan Calculated Property
Pc 1441.35 kPa Joback Calculated Property
Tboil 1058.98 K Joback Calculated Property
Tc 1300.02 K Joback Calculated Property
Tfus 691.36 K Joback Calculated Property
Vc 1.200 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1239.26; 1450.53] J/mol×K [1058.98; 1300.02] Show Hide
Cp,gas 1239.26 J/mol×K 1058.98 Joback Calculated Property
Cp,gas 1269.65 J/mol×K 1099.15 Joback Calculated Property
Cp,gas 1301.49 J/mol×K 1139.33 Joback Calculated Property
Cp,gas 1335.15 J/mol×K 1179.50 Joback Calculated Property
Cp,gas 1370.97 J/mol×K 1219.67 Joback Calculated Property
Cp,gas 1409.31 J/mol×K 1259.85 Joback Calculated Property
Cp,gas 1450.53 J/mol×K 1300.02 Joback Calculated Property

Similar Compounds

5-Pregnen-3«beta»-ol-20-one, hexanoate. Pregnenolone palmitate. 5-Pregnen-3«beta»-ol-20-one, butyrate. Pregnenolone acetate. 5-Pregnen-3«beta»-ol-20-one, propionate. 5,6-dehydroisoandrosterone acetate. 5-Androstene-3beta,17beta-diol,16beta-ylacetic acid, lactone. Androst-5-en-16-one, 3,17-bis[(trifluoroacetyl)oxy]-, (3«beta»,17«beta»)-. Androst-5-ene-16beta-propionic acid,3beta,17beta-dihydroxy-, delta-lactone, acetate. trans-Dehydroandrosterone, trifluoroacetate. Dehydroepiandrosterone, TFA. Secoandrost-5-ene-16-peroxyacetic acid, 16,17-,17-carboxy-3-beta-hydroxy-, oo-tert-butyl o-methyl ester. 5-Androstene-3beta-ol,17-one-16-ylidenacetic acid, 3-acetate. 5-Pregnen-3«beta»-ol-20-one, trifluoroacetate. trans-Dehydroandrosterone, pentafluoropropionate.

Find more compounds similar to 16Beta-carboxy-17alpha-pregn-5-en-3beta-ol-20-one-3-acetate.

Sources

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