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3a,7a-Diacetoxy-12-oxo-5b-cholanoic acid, methyl ester
SpectraBase Compound ID 3zMFkB7BqeH
InChI InChI=1S/C29H44O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-24,27H,7-15H2,1-6H3
InChIKey GVIZCQOBODPSLY-UHFFFAOYSA-N
Mol Weight 504.7 g/mol
Molecular Formula C29H44O7
Exact Mass 504.308704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KF2LBTzIeSD
Name 3a,7a-Diacetoxy-12-oxo-5b-cholanoic acid, methyl ester
CAS Registry Number 28535-81-1
Comments VARIAN XL-300 OR GEMINI-200 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H44O7
InChI InChI=1S/C29H44O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-24,27H,7-15H2,1-6H3
InChIKey GVIZCQOBODPSLY-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