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3a-Hydroxy-7,12-dioxo-5b-cholanoic acid, methyl ester
SpectraBase Compound ID FhqegpNdXW5
InChI InChI=1S/C25H38O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-19,23,26H,5-13H2,1-4H3
InChIKey PMCNWQOSYVVSNW-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H38O5
Exact Mass 418.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JEJF3uXH4rv
Name 3a-Hydroxy-7,12-dioxo-5b-cholanoic acid, methyl ester
Comments VARIAN XL-300 OR GEMINI-200 SPECTROMETER|Reassigned 18/19 Mgr.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H38O5
InChI InChI=1S/C25H38O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-19,23,26H,5-13H2,1-4H3
InChIKey PMCNWQOSYVVSNW-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference E.C. Blossey, W.T. Ford, M. Periyasamy, Magn. Res. Chem. 29, 190 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3