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Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11.beta.)-
SpectraBase Compound ID 736XRDNAZRp
InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3
InChIKey JYGXADMDTFJGBT-UHFFFAOYSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ScVyBoBYZE
Name 11,17,21-Trihydroxy-pregn-4-ene-3,20-dione
CAS Registry Number 50-23-7
Comments 5% CD3OD ADDED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3
InChIKey JYGXADMDTFJGBT-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference M.D. Gonzalez, G. Burton, Org. Magn. Resonance 22, 586 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3