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3a-Tosyloxy-5b-cholanic acid, methyl ester

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3a-Tosyloxy-5b-cholanic acid, methyl ester
SpectraBase Compound ID 4v6mV5svXhr
InChI InChI=1S/C32H48O5S/c1-21-6-10-25(11-7-21)38(34,35)37-24-16-18-31(3)23(20-24)9-12-26-28-14-13-27(22(2)8-15-30(33)36-5)32(28,4)19-17-29(26)31/h6-7,10-11,22-24,26-29H,8-9,12-20H2,1-5H3
InChIKey SGOAEXLCEMXQRZ-UHFFFAOYSA-N
Mol Weight 544.8 g/mol
Molecular Formula C32H48O5S
Exact Mass 544.322246 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2EOLs8RIXB5
Name 3a-Tosyloxy-5b-cholanic acid, methyl ester
CAS Registry Number 1261-92-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C32H48O5S
InChI InChI=1S/C32H48O5S/c1-21-6-10-25(11-7-21)38(34,35)37-24-16-18-31(3)23(20-24)9-12-26-28-14-13-27(22(2)8-15-30(33)36-5)32(28,4)19-17-29(26)31/h6-7,10-11,22-24,26-29H,8-9,12-20H2,1-5H3
InChIKey SGOAEXLCEMXQRZ-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