Chemical Properties of Methyl 5-«beta»-cholan-3-«alpha»-ol-7-one-24-oate

Methyl 5-«beta»-cholan-3-«alpha»-ol-7-one-24-oate

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InChI
InChI=1S/C25H40O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-20,23,26H,5-14H2,1-4H3/t15?,16-,17+,18?,19?,20?,23?,24?,25?/m1/s1
InChI Key
FNBYYFMYNRYPPC-JHRZSANKSA-N
Formula
C25H40O4
SMILES
COC(=O)CCC(C)C1CCC2C3C(=O)CC4CC(O)CCC4(C)C3CCC12C
Molecular Weight1
404.58
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Physical Properties

Property Value Unit Source
Δf -195.47 kJ/mol Joback Calculated Property
Δfgas -889.82 kJ/mol Joback Calculated Property
Δfus 37.10 kJ/mol Joback Calculated Property
Δvap 97.91 kJ/mol Joback Calculated Property
log10WS -5.45 Crippen Calculated Property
logPoct/wat 4.774 Crippen Calculated Property
McVol 334.550 ml/mol McGowan Calculated Property
Pc 1245.09 kPa Joback Calculated Property
Inp 3298.00 NIST
Tboil 1037.36 K Joback Calculated Property
Tc 1274.40 K Joback Calculated Property
Tfus 642.71 K Joback Calculated Property
Vc 1.260 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1332.80; 1536.04] J/mol×K [1037.36; 1274.40] Show Hide
Cp,gas 1332.80 J/mol×K 1037.36 Joback Calculated Property
Cp,gas 1363.62 J/mol×K 1076.87 Joback Calculated Property
Cp,gas 1395.25 J/mol×K 1116.37 Joback Calculated Property
Cp,gas 1427.99 J/mol×K 1155.88 Joback Calculated Property
Cp,gas 1462.15 J/mol×K 1195.39 Joback Calculated Property
Cp,gas 1498.07 J/mol×K 1234.90 Joback Calculated Property
Cp,gas 1536.04 J/mol×K 1274.40 Joback Calculated Property

Similar Compounds

Methyl 5-«beta»-cholan-3-«alpha»-ol-12-one-24-oate. 24-Cholanoic acid, 3-hydroxy-12-oxo-, methyl ester. Methyl 5-«beta»-cholan-3-«alpha»,12-«alpha»-diol-7-one-24-oate. Methyl 5-«beta»-cholan-3-«alpha»,7-«alpha»-diol-12-one-24-oate. Cholan-24-oic acid, 7-hydroxy-3-oxo-, methyl ester, (5«beta»,7«alpha»)-. Methyl 5-«beta»-cholan-12-«alpha»-ol-3-one-24-oate. 3«alpha»,21-dihydroxy-5«beta»-pregnane-11,20-dione. 5«alpha»-Cholan-24-oic acid, 7«alpha»,12«alpha»-dihydroxy-3-oxo-, methyl ester. Androstane-11,17-dione, 3-hydroxy-, (3«alpha»,5«alpha»)-. Androstane-11,17-dione, 3-hydroxy-, (3«alpha»,5«beta»)-. Androstan-17-one, 3-hydroxy-, (3«beta»,5«beta»)-. Androsterone. Epiandrosterone. Androstan-17-one, 3-hydroxy-, (3«alpha»,5«beta»)-. Allopregnan-3«alpha»-ol-20-one.

Find more compounds similar to Methyl 5-«beta»-cholan-3-«alpha»-ol-7-one-24-oate.

Sources

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