Spectroscopic Characterization of Compounds

Optical rotations ([α]_D), UV spectra, ECD spectra and NMR spectra were acquired as previously described [19 (link)]. Spectra of ¹H and ¹³C were referenced to the residual deuterated solvent peaks at δ_H 2.50 and δ_C 39.5 (DMSO-d₆), and at δ_H 7.26 and δ_C 77.2 (CDCl₃). Heteronuclear multiple bond correlation (HMBC) experiments were optimized for ⁿJ_CH = 8.3 Hz. HRESIMS data were acquired on an Agilent 6520 Accurate Mass Q-TOF spectrometer. High performance liquid chromatography (HPLC) purifications were performed using a PerkinElmer Series 200 HPLC pump and autosampler, with a Flexar photodiode array detector and the associated Chromera version 3.4.1 software; with delivery module, detector, software and extraction and chromatography solvents and as described previously [19 (link)].

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Hamilton K.D., Czajkowski D., Kong N.J., Tran T.D., Gustafson K.R., Pauly G., Boyle G.M., Simmons J.L., Steadman R., Moseley R., Brooks P.R., Ogbourne S.M, & Russell F.D. (2022). Anti-Fibrotic Potential of Tomentosenol A, a Constituent of Cerumen from the Australian Native Stingless Bee, Tetragonula carbonaria. Antioxidants, 11(8), 1604.

Publication 2022

6520 Accurate Mass Q-TOF spectrometer

Chromatography Delivery Dmso High performance liquid chromatography Optical rotations Solvents

Corresponding Organization : University of the Sunshine Coast

Other organizations : Target (United States), National Cancer Institute, Center for Cancer Research, QIMR Berghofer Medical Research Institute, Cardiff University

Top 5 similar protocols

Variable analysis

independent variables

Optical rotations ([α]_D)
UV spectra
ECD spectra
NMR spectra

dependent variables

Spectra of ¹H and ¹³C
HMBC experiments
HRESIMS data
HPLC purifications

control variables

Residual deuterated solvent peaks at δ_H 2.50 and δ_C 39.5 (DMSO-d₆)
Residual deuterated solvent peaks at δ_H 7.26 and δ_C 77.2 (CDCl₃)
HMBC experiments optimized for ⁿJ_CH = 8.3 Hz

controls

Positive and negative controls not explicitly mentioned

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