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5α-Pregnan-3,20-dione

View entire compound with spectra: 7 NMR, 4 FTIR, 2 Raman, and 4 MS (GC)

5α-Pregnan-3,20-dione
SpectraBase Compound ID FPYG8uDNNyT
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+/m0/s1
InChIKey XMRPGKVKISIQBV-BJMCWZGWSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EmCi2E8Dujs
Name 5-ALPHA-PREGNAN-3,20-DIONE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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+/m0/s1
InChIKey XMRPGKVKISIQBV-BJMCWZGWSA-N
Literature Reference Author J.A.R.GARCIA,F.A.V.NAVARRO,H.T.V.CASTRO
Literature Reference Citation MAGN.RES.CHEM.,32,547(1994)
Literature Reference DOI 10.1002/mrc.1260320909
Molecular Weight 316.484 g/mol
Solvent CDCl3
Source File Reference UWCP890