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3-Ethylenedioxy-23-nor-chola-5,20(22)(E)-dien-24-oic acid, ethyl ester

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3-Ethylenedioxy-23-nor-chola-5,20(22)(E)-dien-24-oic acid, ethyl ester
SpectraBase Compound ID UwizjrRw1m
InChI InChI=1S/C27H40O4/c1-5-29-24(28)16-18(2)21-8-9-22-20-7-6-19-17-27(30-14-15-31-27)13-12-25(19,3)23(20)10-11-26(21,22)4/h6,16,20-23H,5,7-15,17H2,1-4H3/b18-16+
InChIKey PYVKHSZLUGHERN-FBMGVBCBSA-N
Mol Weight 428.6 g/mol
Molecular Formula C27H40O4
Exact Mass 428.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CUbC2ZZb1mK
Name 3-Ethylenedioxy-23-nor-chola-5,20(22)(E)-dien-24-oic acid, ethyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H40O4
InChI InChI=1S/C27H40O4/c1-5-29-24(28)16-18(2)21-8-9-22-20-7-6-19-17-27(30-14-15-31-27)13-12-25(19,3)23(20)10-11-26(21,22)4/h6,16,20-23H,5,7-15,17H2,1-4H3/b18-16+
InChIKey PYVKHSZLUGHERN-FBMGVBCBSA-N
Instrument Name Varian XL-100
Literature Reference M.S. Maier, A.M. Seldes, E.G.Gros, Magn. Res. Chem. 24, 363 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3