Chemical Properties of 31-Norlanosterol acetate

31-Norlanosterol acetate

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InChI
InChI=1S/C31H50O2/c1-9-10-11-12-21(2)23-15-19-31(8)25-13-14-26-28(4,5)27(33-22(3)32)17-18-29(26,6)24(25)16-20-30(23,31)7/h9-10,21,23,26-27H,11-20H2,1-8H3/b10-9+/t21-,23?,26?,27-,29+,30+,31-/m1/s1
InChI Key
QBLZWFPDPZVSOO-JHBUWWQPSA-N
Formula
C31H50O2
SMILES
CC=CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3
Molecular Weight1
454.73
Sources

Physical Properties

Property Value Unit Source
Δf 202.11 kJ/mol Joback Calculated Property
Δfgas -520.85 kJ/mol Joback Calculated Property
Δfus 36.02 kJ/mol Joback Calculated Property
Δvap 89.92 kJ/mol Joback Calculated Property
logPoct/wat 8.66 Crippen Calculated Property
Pc 887.88 kPa Joback Calculated Property
Tboil 1033.07 K Joback Calculated Property
Tc 1273.05 K Joback Calculated Property
Tfus 654.05 K Joback Calculated Property
Vc 1.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1574.29 J/mol×K 1033.07 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

5.alpha.-tirucalla-8,23-dien-3.beta.-ol, acetylated. 24-Dihydrotirucallol acetate. butyrospermol acetylated. 24-Methyl-31-norlanosterol acetate. Isoeuphenol acetate. Lanost-8-en-3-ol, acetate, (3«beta»,13«alpha»,14«beta»,17«alpha»)-. 24-Ethyl-31-nor-8,25-lanostadienol acetate. Tirucallol acetate. 24-Methylene-24-dihydrolanosterol acetate. 24-Ethyl-31-nor-8-lanostenol acetate. Isotirucallenol acetate. Euphol acetate. Lanost-8-en-3-ol, acetate, (3«beta»)-. 24-Methyl-24-dihydrolanosterol acetate. 31-Nor-8-lanostenol acetate.

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