Chemical Properties of 6.beta.-Hydroxy-3.alpha., 5.alpha.-cycloandrostan-17-one, TFA

6.beta.-Hydroxy-3.alpha., 5.alpha.-cycloandrostan-17-one, TFA

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InChI
InChI=1S/C21H27F3O3/c1-18-7-6-14-12(13(18)3-4-16(18)25)5-8-20(27-17(26)21(22,23)24)15-9-11(15)10-19(14,20)2/h11-15H,3-10H2,1-2H3/t11-,12?,13?,14?,15-,18+,19-,20+/m1/s1
InChI Key
BISGMCOZQUQHBY-NJGCBKJZSA-N
Formula
C21H27F3O3
SMILES
CC12CCC3C(CCC4(OC(=O)C(F)(F)F)C5CC5CC34C)C1CCC2=O
Molecular Weight1
384.43
Sources

Physical Properties

Property Value Unit Source
Δf -572.21 kJ/mol Joback Calculated Property
Δfgas -1119.97 kJ/mol Joback Calculated Property
Δfus 25.06 kJ/mol Joback Calculated Property
Δvap 67.53 kJ/mol Joback Calculated Property
logPoct/wat 4.68 Crippen Calculated Property
Pc 1558.58 kPa Joback Calculated Property
Tboil 847.52 K Joback Calculated Property
Tc 1079.23 K Joback Calculated Property
Tfus 612.64 K Joback Calculated Property
Vc 1.05 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 965.96 J/mol×K 847.52 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
-F 3
>C< 1
-CH3 2
>C< (ring) 3
>C=O (ring) 1
>CH- (ring) 5
-CH2- (ring) 8

Similar Compounds

5«beta»-Dihydrotestosterone, TFA. 5«alpha»-Dihydrotestosterone, TFA. Epiandrosterone, TFA. Androsterone, TFA. Androsterone, trifluoroacetate. Androstan-17-one, 3-[(trifluoroacetyl)oxy]-, (3«beta»,5«alpha»)-. Etiocholan-3«alpha»-ol-17-one, trifluoroacetate. 5-«beta»-Androstan-3-«alpha»,17-«beta»-diol, TFA. 5-«alpha»-Androstan-3-«beta»,17-«alpha»-diol, TFA. 5-«alpha»-Androstan-3-«beta»,17-«beta»-diol, TFA. 5«alpha»-Androstane-3«beta»,17«beta»-diol, bis(trifluoroacetate). 5«alpha»-Androstane-3«alpha»,17«beta»-diol, bis(trifluoroacetate). 5-«beta»-Androstan-3-«beta»,17-«alpha»-diol, TFA. 5-«beta»-Androstan-3-«beta»,17-«beta»-diol, TFA. 5-«beta»-Androstan-3-«alpha»,17-«alpha»-diol, TFA.

Find more compounds similar to 6.beta.-Hydroxy-3.alpha., 5.alpha.-cycloandrostan-17-one, TFA.

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