2000-66-0

Name (17α)-Pregn-4-ene-3,20-dione
CAS 2000-66-0
Molecular Formula C21H30O2
Molecular Weight 314.47
MOL File 2000-66-0.mol
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Chemical Properties

Melting point  145 °C
Boiling point  447.2±45.0 °C(Predicted)
density  1.08±0.1 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  Chloroform (Slightly), Dioxane (Slightly), Methanol (Slightly)
form  Solid
color  White to Off-White
InChI InChI=1/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21+/s3
InChIKey RJKFOVLPORLFTN-LINJWTMNNA-N
SMILES C[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@@H](C(=O)C)[C@@]3(C)CC[C@]21[H] |&1:1,10,12,16,20,24,r|

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