Chemical Properties of 5-«alpha»-Pregnane-20-«alpha»,21-diol, diacetate

5-«alpha»-Pregnane-20-«alpha»,21-diol, diacetate

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InChI
InChI=1S/C25H40O4/c1-16(26)28-15-23(29-17(2)27)22-11-10-20-19-9-8-18-7-5-6-13-24(18,3)21(19)12-14-25(20,22)4/h18-23H,5-15H2,1-4H3/t18-,19?,20?,21?,22?,23+,24+,25+/m0/s1
InChI Key
RZMRLFZKLOVKNA-SUSDATBNSA-N
Formula
C25H40O4
SMILES
CC(=O)OCC(OC(C)=O)C1CCC2C3CCC4CCCCC4(C)C3CCC12C
Molecular Weight1
404.58
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Physical Properties

Property Value Unit Source
Δf -162.27 kJ/mol Joback Calculated Property
Δfgas -824.35 kJ/mol Joback Calculated Property
Δfus 35.21 kJ/mol Joback Calculated Property
Δvap 86.45 kJ/mol Joback Calculated Property
log10WS -6.01 Crippen Calculated Property
logPoct/wat 5.530 Crippen Calculated Property
McVol 334.550 ml/mol McGowan Calculated Property
Pc 1203.96 kPa Joback Calculated Property
Inp [2865.00; 2865.00]   Show Hide
Inp 2865.00 NIST
Inp 2865.00 NIST
Tboil 958.32 K Joback Calculated Property
Tc 1191.49 K Joback Calculated Property
Tfus 590.07 K Joback Calculated Property
Vc 1.258 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1255.70; 1443.35] J/mol×K [958.32; 1191.49] Show Hide
Cp,gas 1255.70 J/mol×K 958.32 Joback Calculated Property
Cp,gas 1285.02 J/mol×K 997.18 Joback Calculated Property
Cp,gas 1314.70 J/mol×K 1036.04 Joback Calculated Property
Cp,gas 1345.04 J/mol×K 1074.90 Joback Calculated Property
Cp,gas 1376.39 J/mol×K 1113.76 Joback Calculated Property
Cp,gas 1409.05 J/mol×K 1152.62 Joback Calculated Property
Cp,gas 1443.35 J/mol×K 1191.49 Joback Calculated Property

Similar Compounds

5-«alpha»-Pregnane-20-«beta»,21-diol, diacetate. «beta»-muricholic acid, acetate-methyl ester. «alpha»-Muricholic acid, acetate-methyl ester. Cholan-24-oic acid, 3,6,7-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,6«alpha»,7«alpha»)-. «omega»-Muricholic acid, acetate-methyl ester. Cryptofauronyl acetate. 3«alpha»,6«beta»,7«alpha»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, acetate-methyl ester. 3«alpha»,6«beta»,7«beta»,12«beta»-Tetrahydroxy-5«beta»-cholanoic acid, acetate-methyl ester. 3«alpha»,6«alpha»,7«alpha»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, acetate-methyl ester. 3«alpha»,6«beta»,7«beta»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, acetate-methyl ester. 5-«alpha»-Pregnane-17-«alpha»,20-«beta»,21-triol, triacetate. 3,15-«beta»-Epoxy-4«beta»-acetoxygymnomitrane. 3,15-«alpha»-Epoxy-4«beta»-acetoxygymnomitrane. 5«alpha»-Cholestan-3«alpha»-ol, 4«alpha»-methyl-, acetate. exo-2-Hydroxy-1,8-cineole acetate.

Find more compounds similar to 5-«alpha»-Pregnane-20-«alpha»,21-diol, diacetate.

Sources

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