Chemical Properties of Cholan-24-oic acid, 3-(acetyloxy)-7-oxo-, methyl ester, (3«alpha»,5«beta»)- (CAS 10452-65-0)

Cholan-24-oic acid, 3-(acetyloxy)-7-oxo-, methyl ester, (3«alpha»,5«beta»)-

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InChI
InChI=1S/C27H42O5/c1-16(6-9-24(30)31-5)20-7-8-21-25-22(11-13-27(20,21)4)26(3)12-10-19(32-17(2)28)14-18(26)15-23(25)29/h16,18-22,25H,6-15H2,1-5H3/t16-,18+,19-,20-,21+,22+,25+,26+,27-/m0/s1
InChI Key
IOBLILNCUSICGD-AWWQQTNVSA-N
Formula
C27H42O5
SMILES
COC(=O)CCC(C)C1CCC2C3C(=O)CC4CC(OC(C)=O)CCC4(C)C3CCC12C
Molecular Weight1
446.62
CAS
10452-65-0
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Physical Properties

Property Value Unit Source
Δf -275.73 kJ/mol Joback Calculated Property
Δfgas -1023.67 kJ/mol Joback Calculated Property
Δfus 40.98 kJ/mol Joback Calculated Property
Δvap 94.84 kJ/mol Joback Calculated Property
log10WS -5.89 Crippen Calculated Property
logPoct/wat 5.345 Crippen Calculated Property
McVol 364.300 ml/mol McGowan Calculated Property
Pc 1059.64 kPa Joback Calculated Property
Tboil 1067.23 K Joback Calculated Property
Tc 1312.03 K Joback Calculated Property
Tfus 676.59 K Joback Calculated Property
Vc 1.377 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1448.82; 1660.94] J/mol×K [1067.23; 1312.03] Show Hide
Cp,gas 1448.82 J/mol×K 1067.23 Joback Calculated Property
Cp,gas 1481.24 J/mol×K 1108.03 Joback Calculated Property
Cp,gas 1514.40 J/mol×K 1148.83 Joback Calculated Property
Cp,gas 1548.63 J/mol×K 1189.63 Joback Calculated Property
Cp,gas 1584.24 J/mol×K 1230.43 Joback Calculated Property
Cp,gas 1621.57 J/mol×K 1271.23 Joback Calculated Property
Cp,gas 1660.94 J/mol×K 1312.03 Joback Calculated Property

Similar Compounds

5A-Pregnanolone myristate. 5A-Pregnanolone palmitate. Trans-androsterone, octanoate. Trans-androsterone, hexanoate. Trans-androsterone, butyrate. 3«alpha»-Propanoyloxy-5«alpha»-androstan-17-one. Trans-androsterone, propionate. Androsterone acetate. Trans-androsterone, acetate. Methyl acetyl-isolithocholate. Cholan-24-oic acid, 3-(acetyloxy)-, methyl ester, (3«alpha»,5«beta»)-. 24-Norcholan-23-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,12«alpha»)-. Cholan-24-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,12«alpha»)-. Trans-androsterone, 4-chlorobutyrate. 2«alpha»-Methyl-dihydrotestosterone propioate.

Find more compounds similar to Cholan-24-oic acid, 3-(acetyloxy)-7-oxo-, methyl ester, (3«alpha»,5«beta»)-.

Sources

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