scholarly journals Database Independent Automated Structure Elucidation of Organic Molecules Based on IR, 1H NMR, 13C NMR, and MS Data

2020 ◽  
Author(s):  
Matevž Pesek ◽  
Andraž Juvan ◽  
Jure Jakoš ◽  
Janez Košmrlj ◽  
Matija Marolt ◽  
...  
Keyword(s):  
1H Nmr ◽  
13C Nmr ◽  
Structure Elucidation ◽  
Organic Molecules

scholarly journals Structure Elucidation of an Pentacyclic Triterpenoid and Phenolic from Steam Bark of Vitex Pubescens Vahl

2019 ◽  
Vol 1 (1) ◽  
pp. 68-74
Author(s):  
Lenny Anwar
Keyword(s):  
1H Nmr ◽  
13C Nmr ◽  
Betulinic Acid ◽  
Spectroscopic Data ◽  
Structure Elucidation ◽  
Stem Bark ◽  
Hydroxybenzoic Acid ◽  
Pentacyclic Triterpenoid ◽  
Reported Data ◽  
First Time

Pentacyclic triterpenoid, betulinic acid (1) and phenolic, p-hydroxybenzoic acid (2), had been isolated for the first time from the stem bark of Vitex pubescens Vahl. The structure of compounds 1 and 2 was determined based on the interpretation of spectroscopic data including UV, IR, NMR (1H-NMR, 13C-NMR, HMQC, HMBC, COSY) and MS, as well as by comparison with those reported data.

scholarly journals SYNTHESIS OF SECONDARY ALCOHOL COMPOUNDS FROM SAFROLE AND METHYLEUGENOL

2010 ◽  
Vol 3 (3) ◽  
pp. 176-178
Author(s):  
Hanoch J Sohilait ◽  
Hardjono Sastrohamidjojo ◽  
Sabirin Matsjeh
Keyword(s):  
1H Nmr ◽  
Sodium Borohydride ◽  
13C Nmr ◽  
Structure Elucidation ◽  
Mercuric Acetate ◽  
Secondary Alcohol ◽  
Secondary Alcohols ◽  
In Situ Reduction

Synthesis of secondary alcohols compound from safrole and methyleugenol has been achieved through conversion of allyl group to alcohol.The reaction of safrole and methyleugenol with mercuric acetate in aqueous tetrahydrofuran, followed by in situ reduction of the mercurial intermediate by alkaline sodium borohydride produced secondary alcohol namely safryl alcohol (71.25%) and methyleugenil alcohol (65.56%). The structure elucidation of these products were analyzed by FTIR, 1H-NMR, 13C-NMR and MS.   Keywords: Secondary alcohols; safrole; methyleugenol

Structure elucidation of nanoparticle-bound organic molecules by 1H NMR

2009 ◽  
Vol 28 (1) ◽  
pp. 88-95 ◽  
Author(s):  
F DU ◽  
B ZHANG ◽  
H ZHOU ◽  
B YAN ◽  
L CHEN
Keyword(s):  
1H Nmr ◽  
Structure Elucidation ◽  
Organic Molecules

scholarly journals SINTESIS NATRIUM PENTAGAMAVUNONAT DAN UJI STABILITASNYA MENGGUNAKAN SPEKTROFOTOMETER UV-Visible

Molekul ◽  
2006 ◽  
Vol 1 (1) ◽  
pp. 24
Author(s):  
Ely Setiawan ◽  
Trisnowati Trisnowati ◽  
Dadan Hermawan
Keyword(s):  
1H Nmr ◽  
13C Nmr ◽  
Structure Elucidation ◽  
Sodium Ethoxide ◽  
Stability Test ◽  
Spectroscopic Methods ◽  
Sodium Ions ◽  
Uv Visible

A research on the synthesis of sodium pentagamavunonat (Na-PGV-0) and its stability test using UV-Visible spectrophotometer were carried out. The synthesis of Na-PGV-0 carried out by reacting PGV-0 in tetrahydrofuran solvent refluxed with sodium ethoxide in mol comparison (1:2) for two hours. Structure elucidation by spectroscopic methods using UV-Visible, IR, 1H-NMR, 13C-NMR and stability test in water using UV-Visible spectrophotometer. The reaction yields 107,21 % (% w/w) products. A products was soluble in water and methanol. Structure elucidation results indicated that the formed compound where the OH phenolic of pentagamavunon-0 was replaced by sodium ions. Stability test shows that decreasing of sodium 

scholarly journals Isolation of terpenoid compound of n-hexane extract of Marsilea crenata Presl..

2020 ◽  
Vol 4 (2) ◽  
Author(s):  
Burhan Ma'arif ◽  
Mangestuti Agil ◽  
Retno Widyowati
Keyword(s):  
1H Nmr ◽  
Column Chromatography ◽  
13C Nmr ◽  
Structure Elucidation ◽  
2D Nmr ◽  
Hexane Extract ◽  
Pentacyclic Triterpenoid ◽  
Vacuum Column ◽  
Ft Ir

Isolation, identification, and structure elucidation of terpenoid compounds from an n-hexane extract of Marsilea crenata Presl., had been done. The leaves of M. crenata was extracted using n-hexane solvent. The extract then separated with vacuum column chromatography and open column chromatography to obtain the isolate. Furthermore, the isolate was identified and elucidated using UV-Vis, FT-IR, 1H-NMR, 13C- NMR, and 2D-NMR (COSY, HMQC, and HMBC). The identification and elucidation of the isolated structure from an n-hexane extract of M. crenata leaves indicate the isolate was a pentacyclic triterpenoid. 

scholarly journals STRUCTURE ELUCIDATION OF ANTIBACTERIAL COMPOUND FROM Ficus deltoidea Jack LEAVES

2011 ◽  
Vol 11 (1) ◽  
pp. 67-70 ◽  
Author(s):  
Suryati Suryati ◽  
Hazli Nurdin ◽  
Dachriyanus Dachriyanus ◽  
Md Nordin Hj Lajis
Keyword(s):  
1H Nmr ◽  
13C Nmr ◽  
Spectroscopic Data ◽  
Structure Elucidation ◽  
Antibacterial Activities ◽  
Ficus Deltoidea ◽  
E Coli ◽  
Minimum Inhibition Concentration ◽  
Antibacterial Compound ◽  
Inhibition Concentration

An antibacterial compound has been isolated from Ficus deltoidea Jack leaves. Based on spectroscopic data (IR, 1H-NMR, 13C NMR 1D and 2D and MS), the structure of this compound was identified as 3β-hydroksilup-20(29)-en, (lupeol), C30H50O. This compound showed antibacterial activities against E. coli, B. subtilis and S. aureus. The minimum inhibition concentration (MIC) against E. coli, B. subtilis and S. aureus are 150, 220 and 130 μg/mL respectively.

scholarly journals ISOLATION AND STRUCTURE ELUCIDATION OF THREE FLAVONOIDS FROM THE SEED OF ZIZIPHUS MAURITIANA LAM

2018 ◽  
Vol 54 (2C) ◽  
pp. 409
Author(s):  
Vũ Thị Thanh Loan
Keyword(s):  
1H Nmr ◽  
13C Nmr ◽  
Spectroscopic Data ◽  
Structure Elucidation ◽  
Ziziphus Mauritiana ◽  
Esi Ms ◽  
Etoh Extract ◽  
First Time

Three flavonoids, spinosin (1), 6′′′-feruloyl spinosin (2) and 6′′′-sinapoyl spinosin (3) wereisolated from EtOH extract of seed of Ziziphus mauritiana. Their structures were elucidated bythe analysis of their spectroscopic data (ESI-MS,1H-NMR,13C-NMR, DEPT, HSQC và HMBC)and compared with literatures. These compounds were isolated for the first time in Vietnamfrom the seed of Ziziphus mauritiana

scholarly journals SYNTHESIS OF ANALOG L--METIL-DOPA FROM EUGENOL

2010 ◽  
Vol 5 (3) ◽  
pp. 198-202 ◽  
Author(s):  
Hanoch J Sohilait ◽  
Hardjono Sastrohamidjojo ◽  
Sabirin Matsjeh ◽  
J Stuart Grossert
Keyword(s):  
Hydrochloric Acid ◽  
Formic Acid ◽  
1H Nmr ◽  
13C Nmr ◽  
Structure Elucidation ◽  
Addition Reaction ◽  
Ethanolic Solution ◽  
Acid Yield ◽  
Main Target

Synthesis of analog L--metil-Dopa from eugenol has been achieved through conversion of allyl group to ketone, followed by reaction with NH3 and KCN and by hydrolisis. The addition reaction of methyleugenol with formic acid yield methyleugenyl formate (60,69%). The hydrolis of methyileugenylformate with KOH in aqaueous-ethanolic solution produced methyleugenyl alcohol (73,68%). The oxidation of methyleugenyl alcohol with PCC yield methyleugenyl ketone (67,71%). The reaction of methyleugenyl ketone with NH3 and KCN yield D,L--amino--(3,4-dimetoxybenzyl) propionitril (84,14%). The hydrolisis of D,L--amino--(3,4-dimetoxybenzyl) propionitril with concentrated hydrochloric acid gave Analog L--metil-Dopa as a main target (91,98%). The structure elucidation of these products were analyzed by FTIR, 1H-NMR, 13C-NMR and MS   Keywords: Analog L--metil-Dopa; eugenol.

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