Chemical Properties of Obtusifoliol acetate

Obtusifoliol acetate

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InChI
InChI=1S/C32H52O2/c1-20(2)21(3)10-11-22(4)25-14-18-32(9)28-13-12-26-23(5)29(34-24(6)33)16-17-30(26,7)27(28)15-19-31(25,32)8/h20,22-23,25-26,29H,3,10-19H2,1-2,4-9H3/t22-,23+,25-,26?,29+,30+,31-,32+/m0/s1
InChI Key
QZHIABMWLYKDJA-HTDQBKTMSA-N
Formula
C32H52O2
SMILES
C=C(CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)C1CC3)C(C)C
Molecular Weight1
468.75
Sources

Physical Properties

Property Value Unit Source
Δf 212.65 kJ/mol Joback Calculated Property
Δfgas -563.59 kJ/mol Joback Calculated Property
Δfus 38.59 kJ/mol Joback Calculated Property
Δvap 92.36 kJ/mol Joback Calculated Property
logPoct/wat 8.91 Crippen Calculated Property
Pc 819.13 kPa Joback Calculated Property
Tboil 1047.67 K Joback Calculated Property
Tc 1286.79 K Joback Calculated Property
Tfus 615.78 K Joback Calculated Property
Vc 1.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1632.41 J/mol×K 1047.67 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
=C< 1
>C=O (nonring) 1
=CH2 1
=C< (ring) 2
-CH2- 2
>C< (ring) 3
-CH3 8
>CH- (ring) 4
-CH2- (ring) 8

Similar Compounds

24(28)-Dihydroobtusifoliol acetate. 4A-Methyl-8-cholestenol acetate. 5.alpha.-tirucalla-8,23-dien-3.beta.-ol, acetylated. 31-Nor-8-lanostenol acetate. 24-Methyl-31-norlanosterol acetate. 31-Norlanosterol acetate. Lanosta-8,24-dien-3-ol, acetate, (3«beta»)-. Euphol acetate. Lanost-8-en-3-ol, acetate, (3«beta»,13«alpha»,14«beta»,17«alpha»)-. 24-Methylene-24-dihydrolanosterol acetate. 24-Ethyl-31-nor-8-lanostenol acetate. butyrospermol acetylated. Lanost-8-en-3-ol, acetate, (3«beta»)-. Isoeuphenol acetate. 24-Ethyl-31-nor-8,25-lanostadienol acetate.

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