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3a-Hydroxy-5.beta.-pregnan-20-one

View entire compound with spectra: 18 NMR, and 10 MS (GC)

3a-Hydroxy-5.beta.-pregnan-20-one
SpectraBase Compound ID 4hYE87dn8D0
InChI InChI=1S/C21H34O2/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/h14-19,23H,4-12H2,1-3H3
InChIKey AURFZBICLPNKBZ-UHFFFAOYSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7KFLrXyU8DJ
Name 3b-Hydroxy-5b-pregnan-20-one
CAS Registry Number 128-21-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H34O2
InChI InChI=1S/C21H34O2/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/h14-19,23H,4-12H2,1-3H3
InChIKey AURFZBICLPNKBZ-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference A.M. Seldes, M.E. Deluca, E.G.Gros, Magn. Res. Chem. 24, 185 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3