Identification Chemical Properties Hazard Information Supplier

2243-08-5

Name 4-PREGNEN-3,6,20-TRIONE
CAS 2243-08-5
EINECS(EC#) 1592732-453-0
Molecular Formula C21H28O3
MDL Number MFCD00199870
Molecular Weight 328.45
MOL File 2243-08-5.mol
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Chemical Properties

Melting point  206-208℃ (ethanol )
Boiling point  473.2±45.0 °C(Predicted)
density  1.14±0.1 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
form  Solid
color  Off White to Yellow
InChI InChI=1S/C21H28O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17H,4-9,11H2,1-3H3/t14-,15+,16-,17-,20+,21+/m0/s1
InChIKey LASCNIPXMJNRGS-HGUQNLGYSA-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)CC2=O

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