Chemical Properties of «beta»-muricholic acid, acetate-methyl ester

«beta»-muricholic acid, acetate-methyl ester

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-MCHFYMJRSA-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
ΔfusH° 59.54 kJ/mol Joback Calculated Property
log10WS -4.99 Relay (1.0) Calculated Property
logPoct/wat 5.249 Crippen Calculated Property
McVol 433.970 ml/mol McGowan Calculated Property
Inp [3572.00; 3572.00]   Show Hide
Inp 3572.00 NIST
Inp 3572.00 NIST
Tfus 395.47 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

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

Find more compounds similar to «beta»-muricholic acid, acetate-methyl ester.

Sources

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