Chemical Properties of 3Beta,17beta-diacetoxy-5alpha-androstan-16-ylidenacetic acid (CAS 18039-58-2)

3Beta,17beta-diacetoxy-5alpha-androstan-16-ylidenacetic acid

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InChI
InChI=1S/C25H36O6/c1-14(26)30-18-7-9-24(3)17(13-18)5-6-19-20(24)8-10-25(4)21(19)11-16(12-22(28)29)23(25)31-15(2)27/h12,17-21,23H,5-11,13H2,1-4H3,(H,28,29)/b16-12+
InChI Key
MFQVPGHQVVZKOB-FOWTUZBSSA-N
Formula
C25H36O6
SMILES
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(OC(C)=O)C(=CC(=O)O)CC32)C1
Molecular Weight1
432.55
CAS
18039-58-2
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Physical Properties

Property Value Unit Source
ΔfG° -387.82 kJ/mol Joback Calculated Property
ΔfH°gas -1028.19 kJ/mol Joback Calculated Property
ΔfusH° 45.82 kJ/mol Joback Calculated Property
ΔvapH° 110.74 kJ/mol Joback Calculated Property
log10WS -5.32 Crippen Calculated Property
logPoct/wat 4.513 Crippen Calculated Property
McVol 337.690 ml/mol McGowan Calculated Property
Pc 1332.96 kPa Joback Calculated Property
Tboil 1106.78 K Joback Calculated Property
Tc 1355.41 K Joback Calculated Property
Tfus 721.94 K Joback Calculated Property
Vc 1.272 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1347.77; 1583.24] J/mol×K [1106.78; 1355.41] Show Hide
Cp,gas 1347.77 J/mol×K 1106.78 Joback Calculated Property
Cp,gas 1381.28 J/mol×K 1148.22 Joback Calculated Property
Cp,gas 1416.58 J/mol×K 1189.66 Joback Calculated Property
Cp,gas 1454.04 J/mol×K 1231.10 Joback Calculated Property
Cp,gas 1494.05 J/mol×K 1272.54 Joback Calculated Property
Cp,gas 1536.99 J/mol×K 1313.97 Joback Calculated Property
Cp,gas 1583.24 J/mol×K 1355.41 Joback Calculated Property

Similar Compounds

16-Acetoxycarterochaetol. 3Beta,17beta-diacetoxyandrost-5-ene. Aristol-1(10)-en-9-yl isovalerate. Androst-5-ene-16beta-propionic acid,3beta,17beta-dihydroxy-, delta-lactone, acetate. Glutaric acid, myrtenyl 2-methylpent-3-yl ester. 6Alpha,21-diacetoxy-11beta,17alpha-dihydroxypregn-4-ene-3,20-dione. 16-Acetoxycarterochaetol. 2H-Cyclohepta[b]furan-2-one, 6-[1-(acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-. Androst-5-ene-3,17-diol, 3-acetate, (3«beta»,17«beta»)-. Ethynodiol diacetate. Glutaric acid, myrtenyl 3-methylbut-2-yl ester. Guaia-1(10),11-dien-15,2-olide. 11Beta,17alpha-dihydroxy-2beta,21-diacetoxypregn-4-ene-3,20-dione. 11Beta,17alpha-dihydroxy-2alpha,21-diacetoxypregna-4-ene-3,20-dione. 2,3-Didehydro GA9, Me.

Find more compounds similar to 3Beta,17beta-diacetoxy-5alpha-androstan-16-ylidenacetic acid.

Sources

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