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9-Bromo-cortisol

View entire compound with spectra: 1 NMR

9-Bromo-cortisol
SpectraBase Compound ID 1gq2DGZugku
InChI InChI=1S/C21H29BrO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3
InChIKey UPDGEBFZVSWPHF-UHFFFAOYSA-N
Mol Weight 441.36 g/mol
Molecular Formula C21H29BrO5
Exact Mass 440.119837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DCPg0Q1yWG0
Name 9-Bromo-cortisol
CAS Registry Number 50732-00-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H29BrO5
InChI InChI=1S/C21H29BrO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3
InChIKey UPDGEBFZVSWPHF-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference D.D. Giannini, P.A. Kollman, W.S.Bhacca, J. Am. Chem. Soc. 96, 5462 (1974).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6