Chemical Properties of Norchenodeoxycholic acid, acetate-methyl ester

Norchenodeoxycholic acid, acetate-methyl ester

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InChI
InChI=1S/C28H44O6/c1-16(13-25(31)32-6)21-7-8-22-26-23(10-12-28(21,22)5)27(4)11-9-20(33-17(2)29)14-19(27)15-24(26)34-18(3)30/h16,19-24,26H,7-15H2,1-6H3/t16-,19?,20-,21?,22?,23?,24-,26?,27+,28-/m0/s1
InChI Key
SSSUNRYYXMSDPC-DXBMUORRSA-N
Formula
C28H44O6
SMILES
COC(=O)CC(C)C1CCC2C3C(OC(C)=O)CC4CC(OC(C)=O)CCC4(C)C3CCC12C
Molecular Weight1
476.65
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Physical Properties

Property Value Unit Source
Δf -386.35 kJ/mol Joback Calculated Property
Δfgas -1171.75 kJ/mol Joback Calculated Property
Δfus 47.91 kJ/mol Joback Calculated Property
Δvap 101.67 kJ/mol Joback Calculated Property
log10WS -6.00 Crippen Calculated Property
logPoct/wat 5.318 Crippen Calculated Property
McVol 384.260 ml/mol McGowan Calculated Property
Pc 982.69 kPa Joback Calculated Property
Inp [3189.00; 3189.00]   Show Hide
Inp 3189.00 NIST
Inp 3189.00 NIST
Tboil 1093.91 K Joback Calculated Property
Tc 1340.23 K Joback Calculated Property
Tfus 687.56 K Joback Calculated Property
Vc 1.448 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1538.14; 1761.73] J/mol×K [1093.91; 1340.23] Show Hide
Cp,gas 1538.14 J/mol×K 1093.91 Joback Calculated Property
Cp,gas 1571.85 J/mol×K 1134.96 Joback Calculated Property
Cp,gas 1606.53 J/mol×K 1176.02 Joback Calculated Property
Cp,gas 1642.51 J/mol×K 1217.07 Joback Calculated Property
Cp,gas 1680.14 J/mol×K 1258.12 Joback Calculated Property
Cp,gas 1719.76 J/mol×K 1299.18 Joback Calculated Property
Cp,gas 1761.73 J/mol×K 1340.23 Joback Calculated Property

Similar Compounds

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

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

Sources

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