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

In this paper, a complete 1H and 13C 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 1H NMR, 13C{1H} NMR, gCOSY, gHMQC, and gHMBC experiments. Furthermore, a software‐assisted...

Full description

Saved in:
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:
2D NMR
complete NMR assignment
FOMSC3_rm_NB
J‐values measurement
multiplicity clarifying
NMR
NMR_MultSim
Nuclear magnetic resonance
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:In this paper, a complete 1H and 13C 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 1H NMR, 13C{1H} 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 1H and 13C 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