Chemical Properties of 5.alpha.-Pregnan-3,20-dione, MO, # 1

5.alpha.-Pregnan-3,20-dione, MO, # 1

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InChI
InChI=1S/C22H36N2O2/c1-14(23-25-3)20-9-10-21-19-7-5-15-13-16(24-26-4)6-8-17(15)18(19)11-12-22(20,21)2/h15,17-21H,5-13H2,1-4H3/t15-,17?,18?,19?,20+,21?,22+/m1/s1
InChI Key
OMMFWSIWKVMITH-FJRBLVNISA-N
Formula
C22H36N2O2
SMILES
CON=C(C)C1CCC2C3CCC4CC(=NOC)CCC4C3CCC12C
Molecular Weight1
360.53
Sources

Physical Properties

Property Value Unit Source
Δfgas -433.77 kJ/mol Joback Calculated Property
Δvap 75.36 kJ/mol Joback Calculated Property
logPoct/wat 5.28 Crippen Calculated Property
Pc 1110.37 kPa Joback Calculated Property
Tboil 937.86 K Joback Calculated Property
Tc 1179.89 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
=C< 1
-N= 2
=C< (ring) 1
>C< (ring) 1
-CH3 4
>CH- (ring) 6
-CH2- (ring) 9

Similar Compounds

5.alpha.-Pregnan-3,20-dione, MO, # 2. 5«beta»-Pregnane-3,20-dione, bis(O-methyloxime). Pregnanedione, MO TMS. 5«alpha»-pregnane-3,20-dione, MO-TMS, syn. 5«alpha»-pregnane-3,20-dione, MO-TMS, anti. 5-«alpha»-Pregnan-11-one, MO. 5-«beta»-Pregnan-11-one, MO. 5-«alpha»-Pregnan-3,11-dione, MO. 5-«beta»-Pregnan-3,11-dione, MO. 5-«beta»-Pregnan-11,20-dione, MO. 5-«alpha»-Pregnan-11,20-dione, MO. 5-«beta»-Pregnan-20-one, MO. 5-«alpha»-Pregnan-20-one, MO. Delta-camphor oxime. 2-Bornanone oxime.

Find more compounds similar to 5.alpha.-Pregnan-3,20-dione, MO, # 1.

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