Chemical Properties of Cortol (CAS 516-38-1)

Cortol

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InChI
InChI=1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14?,15?,16+,17?,18?,19+,20+,21+/m0/s1
InChI Key
FFPUNPBUZDTHJI-GBBLGXTESA-N
Formula
C21H36O5
SMILES
CC12CC(O)C3C(CCC4CC(O)CCC43C)C1CCC2(O)C(O)CO
Molecular Weight1
368.51
CAS
516-38-1
Sources

Physical Properties

Property Value Unit Source
Δf -433.12 kJ/mol Joback Calculated Property
Δfgas -1038.78 kJ/mol Joback Calculated Property
Δfus 35.56 kJ/mol Joback Calculated Property
Δvap 140.86 kJ/mol Joback Calculated Property
logPoct/wat 1.45 Crippen Calculated Property
Pc 2161.32 kPa Joback Calculated Property
Tboil 1166.02 K Joback Calculated Property
Tc 1451.99 K Joback Calculated Property
Tfus 720.19 K Joback Calculated Property
Vc 1.08 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1343.94 J/mol×K 1166.02 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-OH (alcohol) 5
-CH2- 1
>C< (ring) 3
-CH3 2
>CH- (ring) 6
-CH2- (ring) 8

Similar Compounds

5-.alpha.-Pregnane-17-.alpha.,20-.beta.,21-triol. 5-«alpha»-Pregnane-3-«beta»,17-«alpha»,20-«beta»-triol. 5-«alpha»-Pregnane-3-«beta»,17-«alpha»,20-«alpha»-triol. Pregnane-3,17,20-triol, (3«alpha»,5«beta»,20S)-. 5-«alpha»-Pregnane-17-«alpha»,20-«alpha»-diol. 5-«alpha»-Pregnane-17-«alpha»,20-«beta»-diol. 5«beta»-pregnane-3«alpha»,11«beta»,17«alpha»,20«beta»,21-Pentol, 5«beta»-pregnane. Cedrane diol. 2-Methylisoborneol. 2-Bornanol, 2-methyl-. (+)-Prenopsan-8-ol. Neoisolongifolane, hydroxy-. Isolongifolol. Cedran-diol, (8S,14)-. Ginsenol.

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