Chemical Properties of 11Alpha-hydroxy-5alpha-pregnane-3,20-dione (CAS 565-96-8)

11Alpha-hydroxy-5alpha-pregnane-3,20-dione

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InChI
InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15-,16+,17-,18+,19+,20-,21+/m1/s1
InChI Key
XHCCPSKYYJBSAA-SZINYCQKSA-N
Formula
C21H32O3
SMILES
CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3C(O)CC12C
Molecular Weight1
332.48
CAS
565-96-8
Other Names
  • 11Alpha-hydroxy-5alpha-pregnane-3,20-dione
  • 11«alpha»-Hydroxy-5«alpha»-pregnane-3,20-dione
  • 11«alpha»-Hydroxyallopregnane-3,20-dione
  • 5«alpha»-Pregnane-3,20-dione, 11«alpha»-hydroxy-
Sources

Physical Properties

Property Value Unit Source
Δf -121.71 kJ/mol Joback Calculated Property
Δfgas -669.76 kJ/mol Joback Calculated Property
Δfus 29.07 kJ/mol Joback Calculated Property
Δvap 86.99 kJ/mol Joback Calculated Property
logPoct/wat 3.77 Crippen Calculated Property
Pc 1678.28 kPa Joback Calculated Property
Tboil 923.86 K Joback Calculated Property
Tc 1158.10 K Joback Calculated Property
Tfus 590.40 K Joback Calculated Property
Vc 1.02 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1027.31 J/mol×K 923.86 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Allopregnane-7«alpha»,11«alpha»-diol-3,20-dione. Estran-4-on-17B-ol. Pregnan-3-one, 20-hydroxy-, (5.alpha.,20r)-. 11Beta-hydroxy-5alpha-androstan-17-one. 24-epi-Castasterone. Castasterone. Drostanolone. 3.alpha.,21-dihydroxy-5.beta.-pregnane-11,20-dione. 3Beta-hydroxy-5beta-pregnan-20-one. Pregnan-3«alpha»-ol-20-one. Allopregnan-3«alpha»-ol-20-one. 5«alpha»-Pregnane-3«beta»-ol-20-one. Androstan-17-one, 3,11-dihydroxy-, (3.alpha.,5.beta.,11.beta.)-. Methyl 5-.beta.-cholan-3-.alpha.,12-.alpha.-diol-7-one-24-oate. Methyl 5-.beta.-cholan-3-.alpha.,7-.alpha.-diol-12-one-24-oate.

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