John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=6KaL5qKLtXZ SpectraBase Spectrum ID=2VH80rYXCEV

(accessed ).
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) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VH80rYXCEV
Name 5-BETA-PREGNAN-3,20-DION
Copyright Copyright © 2016-2021 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-/m1/s1
InChIKey XMRPGKVKISIQBV-XWOJZHJZSA-N
Literature Reference Author J.W.BLUNT,J.B.STOTHERS
Literature Reference Citation ORG.MAGN.RES.,9,439(1977)
Literature Reference DOI 10.1002/mrc.1270090802
Molecular Weight 316.484 g/mol
Solvent CDCl3
Source File Reference UNIW4084
SpectraBase Batch ID 2a5anqnZxBy