Chemical Properties of 3«alpha»,6«beta»,7«beta»,12«beta»-Tetrahydroxy-5«beta»-cholanoic acid, acetate-methyl ester

3«alpha»,6«beta»,7«beta»,12«beta»-Tetrahydroxy-5«beta»-cholanoic acid, acetate-methyl ester

InChI
InChI=1S/C33H50O10/c1-17(9-12-28(38)39-8)23-10-11-24-29-25(16-27(33(23,24)7)41-19(3)35)32(6)14-13-22(40-18(2)34)15-26(32)30(42-20(4)36)31(29)43-21(5)37/h17,22-27,29-31H,9-16H2,1-8H3/t17?,22-,23?,24?,25?,26+,27-,29?,30+,31-,32?,33?/m0/s1
InChI Key
NDZQWHMQQJDYRD-UAPZMJKZSA-N
Formula
C33H50O10
SMILES
COC(=O)CCC(C)C1CCC2C3C(OC(C)=O)C(OC(C)=O)C4CC(OC(C)=O)CCC4(C)C3CC(OC(C)=O)C12C
Molecular Weight1
606.74
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Physical Properties

Property Value Unit Source
ΔfusH° 76.49 kJ/mol Joback Calculated Property
logPoct/wat 4.791 Crippen Calculated Property
McVol 469.590 ml/mol McGowan Calculated Property
Inp 3696.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1945.48; 2205.99] J/mol×K [1261.40; 1564.71] Show Hide
Cp,gas 1945.48 J/mol×K 1261.40 Joback Calculated Property
Cp,gas 1983.26 J/mol×K 1311.95 Joback Calculated Property
Cp,gas 2022.52 J/mol×K 1362.50 Joback Calculated Property
Cp,gas 2063.85 J/mol×K 1413.05 Joback Calculated Property
Cp,gas 2107.82 J/mol×K 1463.61 Joback Calculated Property
Cp,gas 2155.01 J/mol×K 1514.16 Joback Calculated Property
Cp,gas 2205.99 J/mol×K 1564.71 Joback Calculated Property

Similar Compounds

3«alpha»,6«beta»,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. 3«alpha»,6«alpha»,7«alpha»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, acetate-methyl ester. «alpha»-Muricholic acid, acetate-methyl ester. «omega»-Muricholic acid, acetate-methyl ester. «beta»-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»,7«beta»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester. Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«beta»,12«alpha»)-. 3«alpha»,7«alpha»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester. Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«alpha»,12«alpha»)-. Cholan-24-oic acid, 3,6-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,6«alpha»)-. Murocholic acid, acetate-methyl ester. Cryptofauronyl acetate. Homocholic acid, acetate-methyl ester.

Find more compounds similar to 3«alpha»,6«beta»,7«beta»,12«beta»-Tetrahydroxy-5«beta»-cholanoic acid, acetate-methyl ester.

Sources

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