Chemical Properties of 24-Norcholan-23-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,12«alpha»)- (CAS 60354-47-4)

24-Norcholan-23-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,12«alpha»)-

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InChI
InChI=1S/C28H44O6/c1-16(13-26(31)32-6)22-9-10-23-21-8-7-19-14-20(33-17(2)29)11-12-27(19,4)24(21)15-25(28(22,23)5)34-18(3)30/h16,19-25H,7-15H2,1-6H3/t16-,19-,20-,21+,22-,23+,24+,25+,27+,28-/m0/s1
InChI Key
JFWMQMQYQMZQHZ-XDCIMCGCSA-N
Formula
C28H44O6
SMILES
COC(=O)CC(C)C1CCC2C3CCC4CC(OC(C)=O)CCC4(C)C3CC(OC(C)=O)C12C
Molecular Weight1
476.65
CAS
60354-47-4
Other Names
  • Nordeoxycholic acid, acetate-methyl ester
  • Nordeoxycholic acid, diacetate, methyl ester
Sources

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
logPoct/wat 5.32 Crippen Calculated Property
Pc 982.69 kPa Joback Calculated Property
Tboil 1093.91 K Joback Calculated Property
Tc 1340.23 K Joback Calculated Property
Tfus 687.56 K Joback Calculated Property
Vc 1.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1538.14 J/mol×K 1093.91 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 3
-CH3 6
-CH2- 1
>C< (ring) 2
>C=O (nonring) 3
>CH- (ring) 7
-CH2- (ring) 8

Similar Compounds

Norcholic acid, acetate-methyl ester. Cholan-24-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,12«alpha»)-. 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. Homocholic acid, acetate-methyl ester. (20RS)-3.beta.-Acetoxylupan-29-al. Norchenodeoxycholic acid, acetate-methyl ester. Norursodeoxycholic 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»)-. Isoursodeoxycholic acid, acetate-methyl ester. Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«beta»)-. Isobornyl laureate.

Find more compounds similar to 24-Norcholan-23-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,12«alpha»)-.

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