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3b-Acetoxy-23-nor-chola-5,20(22)(E)-dien-24-oic acid, ethyl ester
SpectraBase Compound ID 4ayCrn7pn4B
InChI InChI=1S/C27H40O4/c1-6-30-25(29)15-17(2)22-9-10-23-21-8-7-19-16-20(31-18(3)28)11-13-26(19,4)24(21)12-14-27(22,23)5/h7,15,20-24H,6,8-14,16H2,1-5H3/b17-15+
InChIKey JRKZLVFUIDPSTA-BMRADRMJSA-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 C2dhf4y3vg4
Name 3b-Acetoxy-23-nor-chola-5,20(22)(E)-dien-24-oic acid, ethyl ester
CAS Registry Number 41871-29-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H40O4
InChI InChI=1S/C27H40O4/c1-6-30-25(29)15-17(2)22-9-10-23-21-8-7-19-16-20(31-18(3)28)11-13-26(19,4)24(21)12-14-27(22,23)5/h7,15,20-24H,6,8-14,16H2,1-5H3/b17-15+
InChIKey JRKZLVFUIDPSTA-BMRADRMJSA-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