Chemical Properties of Vernosterol acetate

Vernosterol acetate

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C30H46O2/c1-8-22(19(2)3)17-20(4)26-11-12-27-25-10-9-23-18-24(32-21(5)31)13-15-29(23,6)28(25)14-16-30(26,27)7/h8,12,19-20,23-24,26H,9-11,13-18H2,1-7H3/b22-8-/t20?,23?,24-,26+,29-,30+/m1/s1
InChI Key
ORZLNKKIYBRHAR-ZMFSMEMUSA-N
Formula
C30H46O2
SMILES
CC=C(CC(C)C1CC=C2C3=C(CCC21C)C1(C)CCC(OC(C)=O)CC1CC3)C(C)C
Molecular Weight1
438.68
Sources

Physical Properties

Property Value Unit Source
Δf 229.43 kJ/mol Joback Calculated Property
Δfgas -458.77 kJ/mol Joback Calculated Property
Δfus 39.88 kJ/mol Joback Calculated Property
Δvap 91.26 kJ/mol Joback Calculated Property
logPoct/wat 8.19 Crippen Calculated Property
Pc 946.75 kPa Joback Calculated Property
Tboil 1022.63 K Joback Calculated Property
Tc 1261.04 K Joback Calculated Property
Tfus 587.78 K Joback Calculated Property
Vc 1.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1441.58 J/mol×K 1022.63 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

24-Ethyl-5-.alpha.-cholest-8,14-dien-3-.beta.-ol. 24-Methyl-5-.alpha.-cholesta-8,14-dien-3-.beta.-ol. 24-Ethylcholesta-8,14,24(28)-trien-3-.beta.-ol. Cholesta-8,14-dien-3-ol, (3.beta.,5.alpha.)-. 4-.alpha.-Methyl-24-ethylcholest-8,14-dien-3-.beta.-ol. 4-.alpha.,24-Dimethylcholest-8,14-dien-3-.beta.-ol. Agnosterol acetate. Lanosta-7,9(11)-dien-3-ol, acetate, (3«beta»)-. 24-Methyl-5-.alpha.-cholesta-7,14,22-dien-3-.beta.-ol. Cholesta-8,24-dien-3-ol, acetate, (3.beta.,5.alpha.)-. Fecosterol acetate. 24-Methyl-5-.alpha.-cholesta-7,14-dien-3-.beta.-ol. 24-Ethyl-5-.alpha.-cholest-7,14-dien-3-.beta.-ol. (22E)-3«alpha»-Ergosta-14,22-dien-5«beta»-ol, acetate. 8(14)-Stigmastenol acetate, 24-.beta..

Find more compounds similar to Vernosterol acetate.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.