Chemical Properties of 3Beta,7beta,12beta-trihydroxy-5beta-cholan-24-oic acid (CAS 81873-90-7)

3Beta,7beta,12beta-trihydroxy-5beta-cholan-24-oic acid

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InChI
InChI=1S/C25H42O5/c1-14(5-8-21(29)30)16-6-7-17-22-18(11-20(28)25(16,17)4)24(3)10-9-15(26)12-23(24,2)13-19(22)27/h14-20,22,26-28H,5-13H2,1-4H3,(H,29,30)/t14-,15+,16-,17+,18+,19+,20-,22+,23+,24-,25-/m0/s1
InChI Key
ZSNMWSXGJNFSAV-CSFDPCLMSA-N
Formula
C24H40O5
SMILES
CC(CCC(=O)O)C1CCC2C3C(O)CC4(C)CC(O)CCC4(C)C3CC(O)C12C
Molecular Weight1
408.57
CAS
81873-90-7
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Physical Properties

Property Value Unit Source
ΔfG° -399.25 kJ/mol Joback Calculated Property
ΔfH°gas -1102.03 kJ/mol Joback Calculated Property
ΔfusH° 44.51 kJ/mol Joback Calculated Property
ΔvapH° 139.52 kJ/mol Joback Calculated Property
log10WS -5.16 Crippen Calculated Property
logPoct/wat 3.839 Crippen Calculated Property
McVol 344.720 ml/mol McGowan Calculated Property
Pc 1482.71 kPa Joback Calculated Property
Tboil 1214.56 K Joback Calculated Property
Tc 1518.63 K Joback Calculated Property
Tfus 750.14 K Joback Calculated Property
Vc 1.288 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1596.14; 2155.56] J/mol×K [1214.56; 1518.63] Show Hide
Cp,gas 1596.14 J/mol×K 1214.56 Joback Calculated Property
Cp,gas 1666.32 J/mol×K 1265.24 Joback Calculated Property
Cp,gas 1744.38 J/mol×K 1315.92 Joback Calculated Property
Cp,gas 1831.33 J/mol×K 1366.59 Joback Calculated Property
Cp,gas 1928.17 J/mol×K 1417.27 Joback Calculated Property
Cp,gas 2035.91 J/mol×K 1467.95 Joback Calculated Property
Cp,gas 2155.56 J/mol×K 1518.63 Joback Calculated Property

Similar Compounds

Cholic acid. 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid. 4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid. allo-Cholanic (5«alpha») acid, methyl ester. Methyl-3beta,7beta,12beta-trihydroxy-5beta-cholan-24-oate. Methyl cholate. 4-(3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid. Lithocholic acid. 5«alpha»-Cholan-24-oic acid, 7«alpha»,12«alpha»-dihydroxy-3-oxo-, methyl ester. Pregnane-3,20-diol, (3«alpha»,5«beta»)-. Allopregnane-3«alpha»,20«alpha»-diol. Pregnane-3,20-diol, (3«alpha»,5«beta»,20S)-. hyocholic acid. Cholestan-3-ol, 4-methyl-, (3«beta»,4«alpha»,5«alpha»)-. Cholestan-3-ol, 4,4-dimethyl-, (3«beta»,5«alpha»)-.

Find more compounds similar to 3Beta,7beta,12beta-trihydroxy-5beta-cholan-24-oic acid.

Sources

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