Chemical Properties of 5«alpha»-Cholestan-3«alpha»-ol, 4«alpha»-methyl-, acetate (CAS 20997-65-3)

5«alpha»-Cholestan-3«alpha»-ol, 4«alpha»-methyl-, acetate

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InChI
InChI=1S/C30H52O2/c1-19(2)9-8-10-20(3)24-13-14-26-23-11-12-25-21(4)28(32-22(5)31)16-18-30(25,7)27(23)15-17-29(24,26)6/h19-21,23-28H,8-18H2,1-7H3/t20-,21+,23+,24-,25+,26+,27+,28-,29-,30+/m0/s1
InChI Key
WHFNJZOJPBXDDI-FBDHWHPWSA-N
Formula
C30H52O2
SMILES
CC(=O)OC1CCC2(C)C(CCC3C4CCC(C(C)CCCC(C)C)C4(C)CCC32)C1C
Molecular Weight1
444.73
CAS
20997-65-3
Other Names
  • 4-Methylcholestan-3-yl acetate, (3«alpha»,4«alpha»,5«alpha»)-
  • 4A-Methylcholestanol acetate
Sources

Physical Properties

Property Value Unit Source
Δf 95.89 kJ/mol Joback Calculated Property
Δfgas -728.71 kJ/mol Joback Calculated Property
Δfus 44.00 kJ/mol Joback Calculated Property
Δvap 87.42 kJ/mol Joback Calculated Property
logPoct/wat 8.29 Crippen Calculated Property
Pc 832.42 kPa Joback Calculated Property
Tboil 986.65 K Joback Calculated Property
Tc 1214.35 K Joback Calculated Property
Tfus 550.78 K Joback Calculated Property
Vc 1.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1539.59 J/mol×K 986.65 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4,4-Dimethylcholestanol acetate. 24-Methyllanostanol acetate. Lanostan-3-yl acetate. Epiflriedelinol (5B-methyl-friedelanol) acetate. Friedelinol (5B-methyl-friedelan-3A-ol) acetate. exo-Pinocampheol, acetate. Isopinocampheyl acetate. Pinocampheyl acetate. endo-Pinocampheol, acetate. Homooursodeoxycholic acid, acetate-methyl ester. Homochenodeoxycholic acid, acetate-methyl ester. 24(28)-Dihydrocycloeucalenol acetate. Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«beta»)-. Isochenodeoxycholic acid, acetate-methyl ester. Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«alpha»)-.

Find more compounds similar to 5«alpha»-Cholestan-3«alpha»-ol, 4«alpha»-methyl-, acetate.

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