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7a-Acetoxy-5b-cholanic acid, methyl ester

View entire compound with spectra: 1 NMR

7a-Acetoxy-5b-cholanic acid, methyl ester
SpectraBase Compound ID GJscVjf1IQf
InChI InChI=1S/C27H44O4/c1-17(9-12-24(29)30-5)20-10-11-21-25-22(13-15-27(20,21)4)26(3)14-7-6-8-19(26)16-23(25)31-18(2)28/h17,19-23,25H,6-16H2,1-5H3
InChIKey MEQHSXBFVVGRAG-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DZPCNWTKPtI
Name 7a-Acetoxy-5b-cholanic acid, methyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-17(9-12-24(29)30-5)20-10-11-21-25-22(13-15-27(20,21)4)26(3)14-7-6-8-19(26)16-23(25)31-18(2)28/h17,19-23,25H,6-16H2,1-5H3
InChIKey MEQHSXBFVVGRAG-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference T. Iida, T. Tamura, T. Matsumoto, Org. Magn. Resonance 21, 305 (1983).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3