Chemical Properties of 8(14)-Stigmastenol acetate, 24-.beta.

8(14)-Stigmastenol acetate, 24-.beta.

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InChI
InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h20-21,23-25,27,29H,8-19H2,1-7H3/t21-,23+,24?,25-,27?,29?,30-,31+/m1/s1
InChI Key
OBDWLCLHGLNWSF-CTXIAVCRSA-N
Formula
C31H52O2
SMILES
CCC(CCC(C)C1CCC2=C3CCC4CC(OC(C)=O)CCC4(C)C3CCC21C)C(C)C
Molecular Weight1
456.74
Other Names
  • 8(14)-Stigmastenol acetate, 24-«alpha»
Sources

Physical Properties

Property Value Unit Source
Δf 135.70 kJ/mol Joback Calculated Property
Δfgas -658.77 kJ/mol Joback Calculated Property
Δfus 40.29 kJ/mol Joback Calculated Property
Δvap 91.80 kJ/mol Joback Calculated Property
logPoct/wat 8.74 Crippen Calculated Property
Pc 840.65 kPa Joback Calculated Property
Tboil 1032.22 K Joback Calculated Property
Tc 1267.20 K Joback Calculated Property
Tfus 585.57 K Joback Calculated Property
Vc 1.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1575.08 J/mol×K 1032.22 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 3
-O- (nonring) 1
-CH3 7
=C< (ring) 2
-CH2- 3
>C< (ring) 2
>C=O (nonring) 1
>CH- (ring) 4
-CH2- (ring) 9

Similar Compounds

4A-Methyl-8(14)-ergostenol acetate. 4A-Methyl-8(14)-cholestenol acetate. 4A-Methyl-8(14)-stigmastenol acetate. Fecosterol acetate. Cholesta-8,24-dien-3-ol, acetate, (3.beta.,5.alpha.)-. 28-Isoavenasterol acetate. Avenasterol acetate. Peposterol (7,24-Stigmastadienol) acetate. 23,24-Dimethyl-7,22-cholestadienol acetate. 4A-Methyl-8-cholestenol acetate. Obtusifoliol acetate. 24(28)-Dihydroobtusifoliol acetate. Spinasterol acetate. Ergosta-7,22-dien-3-ol, acetate, (3.beta.,5.alpha.)-. 27-Nor-7,22-ergostadienol (E) acetate.

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