• Journal of the Korean Applied Science and Technology
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• v.38 no.3
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• pp.824-831
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• 2021

1, 2-Octanediol galactoside (OD-gal) has been synthesized from 1, 2-octanediol (OD), as a safer cosmetic preservative, using recombinant Escherichia coli β-galactosidase (β-gal). To confirm the molecular structure of synthesized OD-gal, mass spectrometry and NMR (¹H- and ¹³C-) spectroscopy of OD-gal were carried out. In the reaction mixture, a sodium adduct ion of OD-gal (m/z=331.1732) was identified using mass spectrometry analysis. In addition, ¹H NMR spectrum of OD-gal showed multiple peaks corresponding to the galactosyl group, which is evidence of galactosylation on OD. Downfield proton peaks at δ_H 4.39 ppm and multiple peaks from δ_H 3.98~3.55 ppm were indicative of galactosylation on OD. Up field proton peaks at δ_H 1.52~1.26 ppm and 0.89 ppm showed the presence of CH₂ and CH₃ protons of OD. ¹³C NMR spectrum revealed the presence of 24 carbons suggestive of α- and β-anomers of OD-gal. Among 14 carbon peaks from each anomer, the 4 peaks at δ_C 31.4, 29.0, 22.3, and 13.7 ppm were assigned to be overlapped showing only 24 peaks out of a total of 28 peaks. The mass value from mass spectrometry analysis of OD-gal, and ¹H and ¹³C NMR spectral data were in good agreement with the expecting structure of OD-gal. Finally, we identified a galactose molecule from the hydrolysate of OD-gal using β-gal. We are expecting that through future study it will eventually be able to develop a safe cosmetic preservative.

• Korean Journal of Crystallography
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• v.12 no.1
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• pp.10-13
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• 2001

Compound PdCl₂(PhCN)₂(1) reacted with tert-butylamine(t-BuNH₂) to give trans-[PdCl₂(t-BuNH₂)₂] (2) Compound 2 was characterized by spectroscopy (¹H-NMR, /sup 13/C{¹H}-NMR, and IR) and X-ray diffraction. Crystallographic data for f2: monoclinic space group p2₁/c, a=6.298(1)Å, b=20.740(2)Å, c=10.731(1)Å, β=92.58(1)°, Z=4, R(wR₂)=0.0207(0.0543).

• Natural Product Sciences
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• v.3 no.1
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• pp.11-13
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• 1997

From the methanolic extract of defatted tender leaf of Camellia sinensis a new 4-hydroxy angular furocoumarin $C_{12}H_8O_5$, m.p. $212^{\circ}C$, was isolated using high-speed counter-current chromatographic technique. The structure of the compound was established as 4-hydroxy-2'-methoxy angular furocoumarin on the basis of physical methods viz. $^1H$ NMR, $^{13}C$ NMR and MS.

• Bulletin of the Korean Chemical Society
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• v.20 no.6
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• pp.667-671
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• 1999

A series of the para-substituted 7-aryl-norbornadienyl cation (3) was prepared in FSO3H/SO2ClF solution at -100℃ and their 13C NMR shifts were measured at -80℃. The plots of the chemical shifts (changes in chemical shifts) of cationic carbon, ΔδC+, aganist our calculated new substituent constant, σc+s, gave an excellent correlation (r=0.994), with a ρc+ value of 12.63. These results indicate that the new substituent constants, σc+s, can be successfully employed to compare the relative charge demand of the carbonium ion by π-and πσ-participation.

• Korean Journal of Medicinal Crop Science
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• v.14 no.4
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• pp.212-216
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• 2006

Root of Scutellaria baicalensis G. was extracted with methanol and water to give the yield of 30.0% in order to find the antioxidant substance. The extract was fractionated with diethyl ether, n-butanol and water to test the inhibitive activity against xanthine oxidase. Three fractions inhibited the activities of xanthine oxidase by 48.2%, 10.2% and 2.8%, respectively, at the amount of $0.1\;{\mu}g$. A component that exhibited strong inhibition of xanthine oxidase was isolated from diethyl ether fraction (SE Fr.) by silica gel column chromatography and HPLC, and then identified by $^1H-NMR$, $^{13}C-NMR$ and MS spectrophotometry. EDA (Electron Donating ability) of the compound was 28.5% at the concentration $100\;{\mu}g/3\;ml$. That was identified to be 3,5,7-trihydroxy-2'-methoxyflavanone by spectrophotometric analysis using $^1H-NMR,\;^{13}C-NMR$ and Mass spectrophotometry.

• Journal of Ginseng Research
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• v.38 no.3
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• pp.194-202
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• 2014

Background: Ginsenosides, the major ingredients of Panax ginseng, have been studied for many decades in Asian countries as a result of their wide range of pharmacological properties. The less polar ginsenosides, with one or two sugar residues, are not present in nature and are produced during manufacturing processes by methods such as heating, steaming, acid hydrolysis, and enzyme reactions. $^1H$-NMR and $^{13}C$-NMR spectroscopic data for the identification of the less polar ginsenosides are often unavailable or incomplete. Methods: We isolated 21 compounds, including 10 pairs of 20(S) and 20(R) less polar ginsenosides (1-20), and an oleanane-type triterpene (21) from a processed ginseng preparation and obtained complete $^1H$-NMR and $^{13}C$-NMR spectroscopic data for the following compounds, referred to as compounds 1-21 for rapid identification: 20(S)-ginsenosides Rh2 (1), 20(R)-Rh2 (2), 20(S)-Rg3 (3), 20(R)-Rg3 (4), 6'-O-acetyl-20(S)-Rh2 [20(S)-AcetylRh2] (5), 20(R)-AcetylRh2 (6), 25-hydroxy-20(S)-Rh2 (7), 25-hydroxy-20(S)-Rh2 (8), 20(S)-Rh1 (9), 20(R)-Rh1 (10), 20(S)-Rg2 (11), 20(R)-Rg2 (12), 25-hydroxy-20(S)-Rh1 (13), 25-hydroxy-20(R)-Rh1 (14), 20(S)-AcetylRg2 (15), 20(R)-AcetylRg2 (16), Rh4 (17), Rg5 (18), Rk1 (19), 25-hydroxy-Rh4 (20), and oleanolic acid 28-O-b-D-glucopyranoside (21).

• Bulletin of the Korean Chemical Society
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• v.23 no.12
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• pp.1778-1784
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• 2002

Novel membrane lipids containing the unusual very long chain fatty $acid{\alpha}{\omega}-1316-dimethyloctacosanedioate$, dimethyl. Ester (DME C30) was isolated and purified from thermophilic anaerobic eubacterium, Thermoanaerobacter ethanolicus. Structures of the lipids containing the bifunctional fatty acyl components were proposed by various analyses such as $^1H,\;^{13}C,\;^{31}P$ nuclear magnetic resonance (NMR), Fourier transform infrared(FTIR) spectroscopy, gas chromatography/mass spectrometry (GC/MS) and fast atom bombardment mass spectrometry (FAB/MS). Combined with the GC/MS, $^1H,\;and\;^{13}C$NMR data, we confirmed that the head groups of the lipids contained the glycerol and/or glucosamine molecules. $^{31}P$ NMR spectrum also showed that the lipids contained phosphate in a phosphodiester linkage. The proposed structures of these novel lipid components were the ones in which two head groups were linked by the membrane spanning fatty acyl component(DME C30)and regular chain fatty acids on glycerol moiety of each head group.

• Journal of Ginseng Research
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• v.21 no.2
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• pp.104-108
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• 1997

(20S)-ginsenoside $Rs_3$ and its isomers were chemically prepared from diol ginseng saponins by partial acid hydrolysis and acetylation. The characteristics of $^{1}H-NMR$ and $^{13}-NMR$ data were compared with each other and fully assigned.

• Journal of the Korean Wood Science and Technology
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• v.35 no.6
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• pp.145-151
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• 2007

To investigate the chemical constituents of Acer tegmentosum, the bark were collected, air-dried and extracted with 70% aqueous acetone. Then it was successively partitioned with n-hexane, $CH_2Cl_2$, EtOAc and $H_2O$. Repeated Sephadex LH-20 column chromatography on the EtOAc soluble fraction gave five phenolic compounds. Their structures were elucidated as (+)-catechin (1), (-)-epi-catechin (2), Q-epicatechin-3-O-gallate (3), gallic acid (4) and 6'-0-galloylsalidroside (5) on the basis of spectroscopic evidences using $^1H-NMR$, $^{13}C-NMR$, 2D-NMR and MS spectroscopy, (-)-epicatechin-3-Ogallate (3), gallic acid (4), 6'-Ogalloylsalidroside (5) have not been reported in this plant yet.

• Polymer(Korea)
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• v.39 no.2
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• pp.287-292
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• 2015

Characterization of a series of bio-based terpolymers containing various amounts of ethylene glycol, 1,4-cyclohexylene dimethanol, and isosorbide units were studied by $^1H$ NMR and $^{13}C$ NMR. The NMR results revealed that they had all random microstructures and that their sequence distribution was affected by the content of isosorbide. From DSC data for the terpolymer series investigated, it was observed that the glass transition temperature increased mainly as the content of isosorbide increased. The glass transition temperatures of terpolymers were estimated from the composition by extended Fox equation.