Detailed 1 H and 13 C NMR structural assignment of ent-polyalthic acid, a biologically active labdane diterpene

In this paper, a complete H and C NMR data assignment of ent-polyalthic acid, a biologically active labdane-type diterpene, is presented. The assignments were carried on the basis of spectroscopic data from H NMR, C{ H} NMR, gCOSY, gHMQC, and gHMBC experiments. Furthermore, a software-assisted metho...

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Bibliographic Details
Published in:Magnetic resonance in chemistry 2022-02, Vol.60 (2), p.255-260
Main Authors: Kovatch, Pedro Y, Ferreira, Alexsandro E, Ghizonni, Guilherme M L, Ambrósio, Sérgio R, Crotti, Antônio E M, Heleno, Vladimir C G
Format: Article
Language:English
Subjects:
Carbon Isotopes - chemistry
Diterpenes - chemistry
Magnetic Resonance Spectroscopy - methods
Protons
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Summary:In this paper, a complete H and C NMR data assignment of ent-polyalthic acid, a biologically active labdane-type diterpene, is presented. The assignments were carried on the basis of spectroscopic data from H NMR, C{ H} NMR, gCOSY, gHMQC, and gHMBC experiments. Furthermore, a software-assisted methodology, using FOMSC3_rm_NB and NMR_MultSim programs, supported the detailed and unequivocal assignment of H and C signals, allowing all hydrogen coupling constants to be determined and thus clarifying all hydrogen signal multiplicities.
ISSN:0749-1581
1097-458X
DOI:10.1002/mrc.5217