Chemical Properties of 5«alpha»-Pregnane-3«beta»-ol-20-one (CAS 516-55-2)

5«alpha»-Pregnane-3«beta»-ol-20-one

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InChI
InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m1/s1
InChI Key
AURFZBICLPNKBZ-HCKITTMESA-N
Formula
C21H34O2
SMILES
CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
Molecular Weight1
318.49
CAS
516-55-2
Other Names
  • 3«beta»-Hydroxy-5«alpha»-pregnan-20-one
  • Pregnan-20-one, 3-hydroxy-, (3«beta»,5«alpha»)-
  • Allopregnan-3«beta»-ol-20-one
  • Allopregnanolone
  • 3«beta»-Hydroxy-5«alpha»-tetrahydroprogesterone
  • 5«alpha»-Pregnan-20-one, 3«beta»-hydroxy-
  • 5«alpha»-Pregnan-3«beta»-ol-20-one
  • Allopregnane-3«beta»-ol-20-one
  • 3-Hydroxypregnan-20-one, (3«beta»,5«alpha»)-
  • 5-alpha-Pregnan-3-beta-ol-20-one
  • 3«beta»-Allopregnanolone
  • 5«alpha»-Dihydropregnenolone
  • Isopregnanolone
  • NSC 97078
  • U 0949
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Physical Properties

Property Value Unit Source
Δf 0.88 kJ/mol Joback Calculated Property
Δfgas -532.06 kJ/mol Joback Calculated Property
Δfus 29.56 kJ/mol Joback Calculated Property
Δvap 82.74 kJ/mol Joback Calculated Property
log10WS -5.16 Crippen Calculated Property
logPoct/wat 4.595 Crippen Calculated Property
McVol 270.750 ml/mol McGowan Calculated Property
Pc 1631.17 kPa Joback Calculated Property
Tboil 856.04 K Joback Calculated Property
Tc 1080.43 K Joback Calculated Property
Tfus [436.00; 450.00] K Show Hide
Tfus 450.00 ± 6.00 K NIST
Tfus 436.00 ± 6.00 K NIST
Vc 1.016 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [981.31; 1138.56] J/mol×K [856.04; 1080.43] Show Hide
Cp,gas 981.31 J/mol×K 856.04 Joback Calculated Property
Cp,gas 1006.66 J/mol×K 893.44 Joback Calculated Property
Cp,gas 1031.94 J/mol×K 930.84 Joback Calculated Property
Cp,gas 1057.47 J/mol×K 968.24 Joback Calculated Property
Cp,gas 1083.54 J/mol×K 1005.63 Joback Calculated Property
Cp,gas 1110.47 J/mol×K 1043.03 Joback Calculated Property
Cp,gas 1138.56 J/mol×K 1080.43 Joback Calculated Property

Similar Compounds

Allopregnan-3«alpha»-ol-20-one. Pregnan-3«alpha»-ol-20-one. 3Beta-hydroxy-5beta-pregnan-20-one. Androstane-11,17-dione, 3-hydroxy-, (3«alpha»,5«alpha»)-. Androstane-11,17-dione, 3-hydroxy-, (3«alpha»,5«beta»)-. 3«alpha»,21-dihydroxy-5«beta»-pregnane-11,20-dione. Epiandrosterone. Androstan-17-one, 3-hydroxy-, (3«alpha»,5«beta»)-. Androsterone. Androstan-17-one, 3-hydroxy-, (3«beta»,5«beta»)-. 6-Ketocholestanol. 3«alpha»-hydroxy-5«beta»-androstane-17-one. 3«alpha»-hydroxy-5«alpha»-androstane-17-one. Estran-4-on-17B-ol. Pregnane-3,20-dione, 11-hydroxy-, (5«alpha»,11«alpha»)-.

Find more compounds similar to 5«alpha»-Pregnane-3«beta»-ol-20-one.

Sources

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