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Pregna-4,6-diene-3,20-dione Structure

Pregna-4,6-diene-3,20-dione

Chemical Properties

Melting point 147-148 °C(Solv: hexane (110-54-3))
Boiling point 462.8±45.0 °C(Predicted)
Density  1.10±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly)
color  White to Off-White
InChI InChI=1S/C21H28O2/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/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
InChIKey JGMOKGBVKVMRFX-LEKSSAKUSA-N
SMILES C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](C(=O)C)CC3)C=C2
CAS DataBase Reference 1162-56-7(CAS DataBase Reference)
FDA UNII EF38VA583P

Safety

HS Code  2937230000

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