Chemical Properties of «omega»-Muricholic acid, acetate-methyl ester

«omega»-Muricholic acid, acetate-methyl ester

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InChI
InChI=1S/C31H48O8/c1-17(8-11-26(35)36-7)22-9-10-23-27-24(13-15-30(22,23)5)31(6)14-12-21(37-18(2)32)16-25(31)28(38-19(3)33)29(27)39-20(4)34/h17,21-25,27-29H,8-16H2,1-7H3/t17-,21-,22?,23?,24?,25?,27?,28-,29-,30-,31-/m0/s1
InChI Key
SCZJGLWPRVUGAT-KEJFPAFPSA-N
Formula
C31H48O8
SMILES
COC(=O)CCC(C)C1CCC2C3C(OC(C)=O)C(OC(C)=O)C4CC(OC(C)=O)CCC4(C)C3CCC12C
Molecular Weight1
548.71
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Physical Properties

Property Value Unit Source
Δf -602.72 kJ/mol Joback Calculated Property
Δfgas -1498.81 kJ/mol Joback Calculated Property
Δfus 59.54 kJ/mol Joback Calculated Property
Δvap 117.19 kJ/mol Joback Calculated Property
log10WS -6.23 Crippen Calculated Property
logPoct/wat 5.249 Crippen Calculated Property
McVol 433.970 ml/mol McGowan Calculated Property
Pc 832.90 kPa Joback Calculated Property
Inp 3539.00 NIST
Tboil 1234.17 K Joback Calculated Property
Tc 1518.97 K Joback Calculated Property
Tfus 789.29 K Joback Calculated Property
Vc 1.639 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1827.98; 2123.59] J/mol×K [1234.17; 1518.97] Show Hide
Cp,gas 1827.98 J/mol×K 1234.17 Joback Calculated Property
Cp,gas 1870.45 J/mol×K 1281.64 Joback Calculated Property
Cp,gas 1914.97 J/mol×K 1329.10 Joback Calculated Property
Cp,gas 1962.05 J/mol×K 1376.57 Joback Calculated Property
Cp,gas 2012.18 J/mol×K 1424.04 Joback Calculated Property
Cp,gas 2065.86 J/mol×K 1471.51 Joback Calculated Property
Cp,gas 2123.59 J/mol×K 1518.97 Joback Calculated Property

Similar Compounds

«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»)-. 3«alpha»,6«alpha»,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«beta»,7«beta»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, acetate-methyl ester. 3«alpha»,6«beta»,7«alpha»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, acetate-methyl ester. Cholan-24-oic acid, 3,6-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,6«alpha»)-. Murocholic acid, acetate-methyl ester. Cryptofauronyl acetate. Isoursodeoxycholic acid, acetate-methyl ester. Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«alpha»)-. Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«beta»)-. Isochenodeoxycholic acid, acetate-methyl ester. Homochenodeoxycholic acid, acetate-methyl ester.

Find more compounds similar to «omega»-Muricholic acid, acetate-methyl ester.

Sources

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