Jms sx102a

¹H NMR and ¹³C NMR spectra were recorded with CDCl₃ as the solvent using tetramethylsilane as an internal standard on JEOL AL-400 spectrometers (JEOL, Akishima, Japan). Multiplicities are indicated as br (broadened), s (singlet), d (doublet), t (triplet), q (quartet), and m (multiplet). High-resolution mass spectrometry spectra were recorded on JMS-SX102A (JEOL). All of the isolated materials were shown to be pure by NMR (free of obvious impurities) and thin-layer chromatography (homogeneous material).
First, we prepared ALLO (2) as described previously (Comin et al., 2004 (link)). Then, we followed Schemes 1–6 to synthesize fluorescein-labeled ALLO (12).

All reagents used were purchased commercially from Aldrich Chemical. Co. Inc. (St Louis, MO, USA), and used without further purification. Solvents were supplied by J.T. Baker (Phillipsburg, NJ, USA), which were dried and distilled prior to use, using standard procedures established under dinitrogen atmosphere. The melting points were determined (without corrections) using a MELT-TEMP II Laboratory Devices, vibrational spectroscopy IR were performed in the range of υ 4000 to 350 cm⁻¹ in a NICOLETMAGNA spectrometer 750 FT-IR in KBr tablet. EI-MS and DART ± MS were carried out using a JEOL JMS-SX102A and JEOL JMS-T100LC spectrometer, respectively. NMR spectra were recorded in CDCl₃ at room temperature on a JEOL spectrometer GX300 ECLIPSE at 300 MHz frequency for ¹H and 75 MHz for ¹³C{¹H}. The chemical shifts (δ) for ¹H and ¹³C are reported in ppm down field of Si (Me)₄ (δ = 0.0). The abbreviations used in the description of the NMR data are the following: s, singlet; d, doublet; dd, doublet of doublets; ddd, doublet of doublet of doublets; td, triplet of doublets; and m, multiplet. Coupling constants are reported as J in Hz. The number of protons (n) for a given resonance is indicated by nH. NMR spectra, mass spectra and docking results are available in supporting material.