Chemical Properties of Homocholic acid, acetate-methyl ester

Homocholic acid, acetate-methyl ester

InChI
InChI=1S/C32H50O8/c1-18(9-8-10-29(36)37-7)24-11-12-25-30-26(17-28(32(24,25)6)40-21(4)35)31(5)14-13-23(38-19(2)33)15-22(31)16-27(30)39-20(3)34/h18,22-28,30H,8-17H2,1-7H3/t18-,22?,23-,24?,25?,26?,27-,28+,30?,31+,32-/m0/s1
InChI Key
ZIGHEEYIWXXOSP-MXQUNYRJSA-N
Formula
C32H50O8
SMILES
COC(=O)CCCC(C)C1CCC2C3C(OC(C)=O)CC4CC(OC(C)=O)CCC4(C)C3CC(OC(C)=O)C12C
Molecular Weight1
562.73
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Physical Properties

Property Value Unit Source
ΔfusH° 62.13 kJ/mol Joback Calculated Property
logPoct/wat 5.640 Crippen Calculated Property
McVol 448.060 ml/mol McGowan Calculated Property
Inp [3435.00; 3435.00]   Show Hide
Inp 3435.00 NIST
Inp 3435.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1904.41; 2227.14] J/mol×K [1257.05; 1552.55] Show Hide
Cp,gas 1904.41 J/mol×K 1257.05 Joback Calculated Property
Cp,gas 1950.18 J/mol×K 1306.30 Joback Calculated Property
Cp,gas 1998.40 J/mol×K 1355.55 Joback Calculated Property
Cp,gas 2049.64 J/mol×K 1404.80 Joback Calculated Property
Cp,gas 2104.47 J/mol×K 1454.05 Joback Calculated Property
Cp,gas 2163.45 J/mol×K 1503.30 Joback Calculated Property
Cp,gas 2227.14 J/mol×K 1552.55 Joback Calculated Property

Similar Compounds

Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«beta»,12«alpha»)-. 3«alpha»,7«beta»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester. 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»)-. Homooursodeoxycholic acid, acetate-methyl ester. Homochenodeoxycholic acid, acetate-methyl ester. Norcholic acid, acetate-methyl ester. Isochenodeoxycholic acid, acetate-methyl ester. 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»)-. Cholan-24-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,12«alpha»)-. Norchenodeoxycholic acid, acetate-methyl ester. Norursodeoxycholic acid, acetate-methyl ester. 24-Norcholan-23-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,12«alpha»)-.

Find more compounds similar to Homocholic acid, acetate-methyl ester.

Sources

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