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Supporting information for: Cordiasecosides G-J, 9,10-Seco-29-norcycloartane glycosides isolated from Cordia lutea and their antibacterial activities.

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DataCite Commons2023-01-18 更新2025-04-16 收录
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https://dataverse.ird.fr/citation?persistentId=doi:10.23708/FVNRDU
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资源简介:
This set of data is supporting research on a widely used peruvian medicinal plant, Cordia lutea. Four new compounds, Cordiasecosides G-J were isolated. Their structural assignment is based on NMR and MS analysis. Their stereochemistry is confirmed by molecular modelling studies using DFT-NMR calculations. Their antibacterial and toxicity against celle lines was evaluated. This set of data contains 1D and 2D NMR spectra for Cordiasecosides G-J, detailed results of DFT calculations and NMR modelisations for Cordiasecoside I including geometries, total energies, enthalpies and Boltzmann distribution; experimental and calculated 13C chemical shifts in the chloroform PCM continuum model (SMD), and RMSD value; calculated 1H chemical shifts and coupling constants for the major conformers ; 1H NMR spectrum simulated at 300 MHz using MestReNova software, purification diagram for Cordiasecosides G-J , detailed protocols for MPLC used for purification of Cordiasecosides G-J, dose-response curves for Cordiasecosides G-J tested against RAW cells 264.7
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DataSuds
创建时间:
2021-12-21
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