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Supporting information for: Cordiasecosides G-J, 9,10-Seco-29-norcycloartane glycosides isolated from Cordia lutea and their antibacterial activities.
Version 1.1
Supporting information for: Cordiasecosides G-J, 9,10-Seco-29-norcycloartane glycosides isolated from Cordia lutea and their antibacterial activities.
Castro, Inés; André-Barrès, Christiane; Fabre, Nicolas; Massou, Stéphane; Sauvain, Michel; Castillo Pareja, Denis; Jullian, Valérie, 2021, "Supporting information for: Cordiasecosides G-J, 9,10-Seco-29-norcycloartane glycosides isolated from Cordia lutea and their antibacterial activities.", https://doi.org/10.23708/FVNRDU, DataSuds, V1
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Description
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 (2021-12-21)
Subject Chemistry; Medicine, Health and Life Sciences
Keyword Cordia lutea, Cordiasecosides, NMR spectra
Related Publication Castro, I. et al. (2022) « Cordiasecosides G-J, 9,10-Seco-29-norcycloartane glycosides isolated from Cordia lutea and their antibacterial activities », Fitoterapia. Elsevier BV. doi: 10.1016/j.fitote.2022.105172
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Cordiasecosides_I_NMR_NOESY.mnova
Cordiasecoside/Unknown - 6.2 MB
Published Dec 22, 2021
2 Downloads
MD5: 07dd1f7f465638ccf75de9fcc4fbb297
1H and NOESY NMR spectra for Cordiasecoside I. MestReNova File
Data
Cordiasecosides_J_NMR_NOESY.mnova
Cordiasecoside/Unknown - 6.2 MB
Published Dec 22, 2021
2 Downloads
MD5: 35414fd471660bf1612fc33547120c18
1H and NOESY NMR spectra for Cordiasecoside J. MestReNova File
Data
Cordiasecoside_G_NMR_1-2D_and_NOESY.mnova
Cordiasecoside/Unknown - 43.3 MB
Published Dec 22, 2021
2 Downloads
MD5: 49c45b93b08cf3a900ca440be4240894
1H, 13C, COSY, HSQC, HMBC, NOESY NMR spectra for Cordiasecoside G. MestReNova File
Data
Cordiasecoside_H_NMR_1-2D_and_NOESY.mnova
Cordiasecoside/Unknown - 43.3 MB
Published Dec 22, 2021
2 Downloads
MD5: 4f1a020b59c6b6de3c1dfa96e528db5d
1H, 13C, COSY, HSQC, HMBC, NOESY NMR spectra for Cordiasecoside H. MestReNova File
Data
Cordiasecoside_I_NMR_1-2D.mnova
Cordiasecoside/Unknown - 23.1 MB
Published Dec 22, 2021
2 Downloads
MD5: 71d1099a2f03a38ae673688013608224
1H, 13C, COSY, HSQC, HMBC, NMR spectra for Cordiasecoside I. MestReNova File
Data
Cordiasecoside_J_NMR_1-2D.mnova
Cordiasecoside/Unknown - 23.1 MB
Published Dec 22, 2021
2 Downloads
MD5: f51ac1f521e84a084cb43467a24a349b
1H, 13C, COSY, HSQC, HMBC, NMR spectra for Cordiasecoside J. MestReNova File
Data
Supporting_information_Cordiasecosides_G_H_I_J_Final_Fito.pdf
Supporting_information_Cordiasecosides_G_H_I_J_Final_Fito.pdf
Cordiasecoside/Adobe PDF - 5.4 MB
Published Dec 22, 2021
3 Downloads
MD5: 4d0467977806f50f12e298076828276e
Supporting information (plots, figures, tables ; 54 pages) for the publication: Cordiasecosides G-J, 9,10-Seco-29-norcycloartane glycosides isolated from Cordia lutea and their antibacterial activities
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