Chemical Properties of Chondrillasterol acetate

Chondrillasterol acetate

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InChI
InChI=1S/C31H50O2/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/h10,12,20-21,24-25,27-29H,8-9,11,13-19H2,1-7H3/b23-10+/t21?,24-,25?,27?,28?,29?,30?,31?/m1/s1
InChI Key
KHTKNVBVENCUHO-CSLALJCESA-N
Formula
C31H50O2
SMILES
CCC(=CCC(C)C1CCC2C3=CCC4CC(OC(C)=O)CCC4(C)C3CCC21C)C(C)C
Molecular Weight1
454.73
Sources

Physical Properties

Property Value Unit Source
Δf 211.73 kJ/mol Joback Calculated Property
Δfgas -554.93 kJ/mol Joback Calculated Property
Δfus 44.17 kJ/mol Joback Calculated Property
Δvap 91.25 kJ/mol Joback Calculated Property
logPoct/wat 8.52 Crippen Calculated Property
Pc 855.96 kPa Joback Calculated Property
Tboil 1027.05 K Joback Calculated Property
Tc 1263.32 K Joback Calculated Property
Tfus 564.77 K Joback Calculated Property
Vc 1.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1548.69 J/mol×K 1027.05 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
=C< 1
=CH- (ring) 1
=C< (ring) 1
-CH2- 2
=CH- 1
>C< (ring) 2
>C=O (nonring) 1
-CH3 7
>CH- (ring) 5
-CH2- (ring) 8

Similar Compounds

7,25-Sigmastadienol acetate. 22-Stigmastenol acetate. 7,24(28)-Ergostadienol acetate. Cholest-7-en-3-ol, acetate, (3«beta»)-. Stigmast-7-en-3-ol, acetate, (3«beta»,5«alpha»)-. Spinasterol acetate. 27-Nor-7,22-ergostadienol (E) acetate. Ergosta-7,22-dien-3-ol, acetate, (3.beta.,5.alpha.)-. 23,24-Dimethyl-7,22-cholestadienol acetate. Peposterol (7,24-Stigmastadienol) acetate. 28-Isoavenasterol acetate. Avenasterol acetate. Citrostadienol acetate. 24-Ethyl-23-dehydrolophenol acetate. 24-Ethyl-25-dehydrolophenol acetate, 24-.beta..

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