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[3,4-(13)C(2)]-(6-ALPHA,7-ALPHA)-6,7-EPOXY-3-OXO-CHOL-4-EN-24-OIC-ACID-METHYLESTER

Compound with spectra: 1 NMR

[3,4-(13)C(2)]-(6-ALPHA,7-ALPHA)-6,7-EPOXY-3-OXO-CHOL-4-EN-24-OIC-ACID-METHYLESTER
SpectraBase Compound ID 7OFXYfZSEyU
InChI InChI=1S/C25H36O4/c1-14(5-8-20(27)28-4)16-6-7-17-21-18(10-12-24(16,17)2)25(3)11-9-15(26)13-19(25)22-23(21)29-22/h13-14,16-18,21-23H,5-12H2,1-4H3/t14-,16+,17-,18-,21-,22+,23-,24+,25+/m0/s1/i13+1,15+1
InChIKey RKDSRNLCZJTBLB-WSDMBFLISA-N
Mol Weight 402.5 g/mol
Molecular Formula C2313C2H36O4
Exact Mass 402.268069 g/mol
Enantiomer InChIKey RKDSRNLCZJTBLB-SYZKDYCLSA-N

View Spectrum of [3,4-(13)C(2)]-(6-ALPHA,7-ALPHA)-6,7-EPOXY-3-OXO-CHOL-4-EN-24-OIC-ACID-METHYLESTER

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Synthesis of [3,4-13C2]-Enriched Bile Salts as NMR Probes of Protein−Ligand Interactions The Journal of Organic Chemistry 2002
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