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5β-Pregnan-3,20-dione

View entire compound with spectra: 5 NMR, 3 FTIR, 1 Raman, and 1 MS (GC)

5β-Pregnan-3,20-dione
SpectraBase Compound ID 6KaL5qKLtXZ
InChI InChI=1S/C21H32O2/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/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1
InChIKey XMRPGKVKISIQBV-XWOJZHJZSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4N3UWpcekG1
Name 5β-Pregnan-3,20-dione
Source of Sample E. Merck AG, Darmstadt, Germany
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/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/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1
InChIKey XMRPGKVKISIQBV-XWOJZHJZSA-N
Molecular Weight 316.49
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 5B-PREGNANE-3,20-DIONE