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PREGN-4-ENE-3,20-DIONE, 11,17,21-TRIHYDROXY-, (11beta,17alpha)-

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PREGN-4-ENE-3,20-DIONE, 11,17,21-TRIHYDROXY-, (11beta,17alpha)-
SpectraBase Compound ID I2b7P8k9shS
InChI InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3
InChIKey OMFXVFTZEKFJBZ-UHFFFAOYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cv5ldPWXChd
Name 11,21-Dihydroxy-pregn-4-ene-3,20-dione
CAS Registry Number 50-22-6
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3
InChIKey OMFXVFTZEKFJBZ-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference N.S. Bhacca, D.D. Giannini, J. Am. Chem. Soc. 95, 8421 (1973).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6