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7a-Acetoxy-3,12-dioxo-5b-cholanoic acid, methyl ester
SpectraBase Compound ID 1YModVUSWwC
InChI InChI=1S/C27H40O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(29)12-17(26)13-22(25)33-16(2)28/h15,17,19-22,25H,6-14H2,1-5H3
InChIKey OMMPWAYKPXWRDV-UHFFFAOYSA-N
Mol Weight 460.6 g/mol
Molecular Formula C27H40O6
Exact Mass 460.282489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8YWyIbjLtpW
Name 7a-Acetoxy-3,12-dioxo-5b-cholanoic acid, methyl ester
CAS Registry Number 60354-42-9
Comments VARIAN XL-300 OR GEMINI-200 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H40O6
InChI InChI=1S/C27H40O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(29)12-17(26)13-22(25)33-16(2)28/h15,17,19-22,25H,6-14H2,1-5H3
InChIKey OMMPWAYKPXWRDV-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