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4-Pregnen-3,11,20-trione

View entire compound with spectra: 3 NMR, 3 FTIR, 1 Raman, 1 UV-Vis, and 1 MS (GC)

4-Pregnen-3,11,20-trione
SpectraBase Compound ID eKKPvT6Cjk
InChI InChI=1S/C21H28O3/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/h10,15-17,19H,4-9,11H2,1-3H3/t15-,16+,17-,19+,20-,21+/m0/s1
InChIKey WKAVAGKRWFGIEA-DADBAOPHSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FE6ZVZyKWjF
Name 4-Pregnen-3,11,20-trione
Source of Sample Eastman Organic Chemicals, Rochester, New York
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/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/h10,15-17,19H,4-9,11H2,1-3H3/t15-,16+,17-,19+,20-,21+/m0/s1
InChIKey WKAVAGKRWFGIEA-DADBAOPHSA-N
Melting Point 170-175C
Molecular Weight 328.46
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20