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3a-Formyloxy-5b-cholanic acid, methyl ester
SpectraBase Compound ID CF4QwEBq2TR
InChI InChI=1S/C26H42O4/c1-17(5-10-24(28)29-4)21-8-9-22-20-7-6-18-15-19(30-16-27)11-13-25(18,2)23(20)12-14-26(21,22)3/h16-23H,5-15H2,1-4H3
InChIKey GUZAGPGVQJJYRZ-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JM3LM6xTZuz
Name 3a-Formyloxy-5b-cholanic acid, methyl ester
CAS Registry Number 105276-53-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-17(5-10-24(28)29-4)21-8-9-22-20-7-6-18-15-19(30-16-27)11-13-25(18,2)23(20)12-14-26(21,22)3/h16-23H,5-15H2,1-4H3
InChIKey GUZAGPGVQJJYRZ-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