Chemical Properties of Fecosterol acetate

Fecosterol acetate

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InChI
InChI=1S/C30H48O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h19,21,23-24,26-27H,3,8-18H2,1-2,4-7H3/t21?,23-,24?,26?,27?,29?,30?/m1/s1
InChI Key
QWRWBTVGCRGCNH-GROYKDTCSA-N
Formula
C30H48O2
SMILES
C=C(CCC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(OC(C)=O)CC1CC3)C(C)C
Molecular Weight1
440.70
Sources

Physical Properties

Property Value Unit Source
Δf 209.01 kJ/mol Joback Calculated Property
Δfgas -517.21 kJ/mol Joback Calculated Property
Δfus 38.64 kJ/mol Joback Calculated Property
Δvap 89.37 kJ/mol Joback Calculated Property
logPoct/wat 8.27 Crippen Calculated Property
Pc 910.53 kPa Joback Calculated Property
Tboil 1006.34 K Joback Calculated Property
Tc 1240.29 K Joback Calculated Property
Tfus 573.58 K Joback Calculated Property
Vc 1.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1470.76 J/mol×K 1006.34 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
-CH3 6
=CH2 1
=C< (ring) 2
-CH2- 2
=C< 1
>C< (ring) 2
>C=O (nonring) 1
>CH- (ring) 4
-CH2- (ring) 9

Similar Compounds

Cholesta-8,24-dien-3-ol, acetate, (3.beta.,5.alpha.)-. Avenasterol acetate. 28-Isoavenasterol acetate. 4A-Methyl-8-cholestenol acetate. 8(14)-Stigmastenol acetate, 24-.beta.. Obtusifoliol acetate. 24(28)-Dihydroobtusifoliol acetate. Peposterol (7,24-Stigmastadienol) acetate. 23,24-Dimethyl-7,22-cholestadienol acetate. 27-Nor-7,22-ergostadienol (E) acetate. Ergosta-7,22-dien-3-ol, acetate, (3.beta.,5.alpha.)-. Spinasterol acetate. 7,24(28)-Ergostadienol acetate. Stigmast-7-en-3-ol, acetate, (3«beta»,5«alpha»)-. Cholest-7-en-3-ol, acetate, (3«beta»)-.

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