Chemical Properties of Cholan-24-oic acid, 3,6-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,6«alpha»)- (CAS 1181-65-3)

Cholan-24-oic acid, 3,6-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,6«alpha»)-

PDF Excel Molecule Calculator
InChI
InChI=1S/C29H46O6/c1-17(7-10-27(32)33-6)22-8-9-23-21-16-26(35-19(3)31)25-15-20(34-18(2)30)11-13-29(25,5)24(21)12-14-28(22,23)4/h17,20-26H,7-16H2,1-6H3/t17-,20-,21+,22-,23+,24+,25+,26+,28-,29-/m0/s1
InChI Key
WNTBZUNELXADHT-GHEUCUPXSA-N
Formula
C29H46O6
SMILES
COC(=O)CCC(C)C1CCC2C3CC(OC(C)=O)C4CC(OC(C)=O)CCC4(C)C3CCC12C
Molecular Weight1
490.67
CAS
1181-65-3
Other Names
  • Hyodeoxycholic acid, acetate-methyl ester
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δf -377.93 kJ/mol Joback Calculated Property
Δfgas -1192.39 kJ/mol Joback Calculated Property
Δfus 50.50 kJ/mol Joback Calculated Property
Δvap 103.89 kJ/mol Joback Calculated Property
log10WS -6.42 Crippen Calculated Property
logPoct/wat 5.708 Crippen Calculated Property
McVol 398.350 ml/mol McGowan Calculated Property
Pc 926.11 kPa Joback Calculated Property
Inp [3397.00; 3397.00]   Show Hide
Inp 3397.00 NIST
Inp 3397.00 NIST
Tboil 1116.79 K Joback Calculated Property
Tc 1367.31 K Joback Calculated Property
Tfus 698.83 K Joback Calculated Property
Vc 1.504 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1610.75; 1848.57] J/mol×K [1116.79; 1367.31] Show Hide
Cp,gas 1610.75 J/mol×K 1116.79 Joback Calculated Property
Cp,gas 1646.27 J/mol×K 1158.54 Joback Calculated Property
Cp,gas 1682.95 J/mol×K 1200.30 Joback Calculated Property
Cp,gas 1721.15 J/mol×K 1242.05 Joback Calculated Property
Cp,gas 1761.24 J/mol×K 1283.81 Joback Calculated Property
Cp,gas 1803.59 J/mol×K 1325.56 Joback Calculated Property
Cp,gas 1848.57 J/mol×K 1367.31 Joback Calculated Property

Similar Compounds

Murocholic acid, acetate-methyl ester. Isochenodeoxycholic 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»)-. Isoursodeoxycholic acid, acetate-methyl ester. Homooursodeoxycholic acid, acetate-methyl ester. Homochenodeoxycholic acid, acetate-methyl ester. Norchenodeoxycholic acid, acetate-methyl ester. Norursodeoxycholic 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»)-. 3«alpha»,7«beta»,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, 3,12-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,12«alpha»)-. Homocholic acid, acetate-methyl ester.

Find more compounds similar to Cholan-24-oic acid, 3,6-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,6«alpha»)-.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.