• 제목/요약/키워드: $^1H$ and $^{13}C$ NMR

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The Cytotoxic Activity of 13(E)-Labd-13-ene-8$\alpha$, 15-diol from Brachyglottis monroi

  • Lim, Jin-A;Kwag, Jung-Sook;Nigel, B.Perry;Baek, Seung-Hwa
    • 대한약학회:학술대회논문집
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    • 대한약학회 2003년도 Proceedings of the Convention of the Pharmaceutical Society of Korea Vol.1
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    • pp.179.2-179.2
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    • 2003
  • The cytotoxic activity of 13(E)-Labd-13-ene-8$\alpha$, 15-diol(1), isolated from the ethanol extract of Brachyglottis monroi was evaluated against tumor cell lines such as P388, SNU-C4 MDA-MB231, B 16 melanoma and A549 in vitro. By mean of spectral analysis particularly by the aid of various two dimensional NMR experiments, 1H-NMR and 13C-NMR signals of (1) was completely assigned, and thus the structure of (1) was established unambiguously. (omitted)

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담쟁이덩굴엽의 플라보놀 배당체 (Flavonol Glycosides from Parthenocissus tricuspidata Leaves)

  • 황현경;성환길;황완균;김일혁
    • 약학회지
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    • 제39권3호
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    • pp.289-296
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    • 1995
  • For the investigation of medicinal resources the studies were carried out to evaluated the pharmaco-constituents in the Leaves of Parthenocissus tricuspidata(Vitaceae), of which leaves have been used in Korea as folk remedies for the treatments of arthritis, jaundice, toothache, neuralgia, and etc. From 1-butanol fraction of the MeOH extract, Compound I ($C_{21}H_{18}O_{13}$, Quercetin-3-O-$\beta$-D-glucuronopyranoside), Compound II ($C_{21}H_{20}O_{12}$, Quercetin-3-O-$\beta$-D-glucopyranoside) and Compound III ($C_{25}H_{28}O_{12}$, Quercetin-3-O-(6"-n-butyl)-$\beta$-D-glucuronopyranoside) were isolated by column chromatographic separation using Sephadex LH-20 and ODS gel. Their structures were elucidated through instrumental analyses, such as $^{1}H$-NMR, $^{13}C$-NMR, IR, UV, El-Mass, FAB-Mass and GC. Especially compound III was Flavonol glycoside and named parthenosin.

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디시클로헥실 텔루르염에 기반한 유기텔루로늄염의 성과 분광학적 분석 (Synthesis and Spectroscopic Investigations of Some New rganotelluronium alts Based on Dicyclohexyl Telluride)

  • Al-Rubaie, Ali Z.;Al-Mudhaffar, Dhafir M. H.;Al-Mowali, Ali H.;Asker, Kahtan A.
    • 대한화학회지
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    • 제53권5호
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    • pp.530-535
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    • 2009
  • 디시클로헥실 텔루르염은 에탄올 수용액에서 NaTeH와 디시클로헥실 브롬화물의 반응에 의해 높은 수율로 얻어진다. 일반식 ${(cyclo-C_6H_11)}_2Te(R)X$ (where R = $CH_3$, X = I (1); R = $C_2H_5$, X = Br(2); R = $C_2H_5$, X = I (3); R = C_3H_5$, X = Br (4)) 인 유기텔루로늄의 새로운 시리즈는 그에 상응하는 알킬 할로겐화물과 ${(cyclo-C_6H_11)}_2Te$의 반응에 의해 만들어진다. $NaBPh_4$와 1의 반응은 78% 수율로 화합물 5를 제공하였다. 벤질 브롬화물과 ${(cyclo-C_6H_11)}_2Te$, 4-bromophenacyl bromide의 반응에서는 뜻밖에 각각dibenzylcyclohexyltelluronium 브롬화물과 and bis(4-bromophenacyl)cyclohexyltelluronium bromide을 얻었다. 높은 수율의 tetraphenylborate 유도체는 $NaBPh_4$과 6의 반응으로 얻었다. $CDCl_3$용매에서 $^1H$ NMR분석을 통해 화합물 1 이 알킬 할로겐화물의 제거 반응을 일으킴을 확인할 수 있었다. 새로운 화합물은 전도성, IR, $^1H$$^{13}C$ NMR, 열분석를 통해 규명되었다.

The NMR Assignments of Torilin from Torilis japonica

  • Kang, Sam-Sik;Lee, Eun-Bang;Kim, Tae-Hee;Kim, Kyung-Ran;Jung, Jee-Hyung
    • Archives of Pharmacal Research
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    • 제17권4호
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    • pp.284-286
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    • 1994
  • A guaian type sesquiterpene, torilin, was isolated from the hexane extract of the fruits of Torilis japonica. The $^1H{\;}and{\;}^{13}C-sinals$ of this compound have been fully assigned utilizing $^1H-^1H$ COSY, HMQC, and HMBC experiments.

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인삼의 diol계 사포닌으로부터 새로운 배당체 (20E)-Ginsenoside $Rh_3$ 및 그의 입체이성체의 제조와 구조결정 (Preparation and Structure Determination of a New Glycoside, (20E)-Ginsenoside $Rh_3$, and its isomer from Diol-type Ginseng Saponins)

  • 김동선;백남인;박종대;이유희;정소영;이천배;김신일
    • 약학회지
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    • 제39권1호
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    • pp.85-93
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    • 1995
  • Acidic and alkaline hydrolysis of diol-type ginseng saponins produced a new glycoside, (20E)-ginsenoside Rh$_{3}$, and its stereoisomer (20Z)-, which were further subjected to alkaline by drolysis to give their aglycones, (20E)- and (20Z)-3$\beta$, 12$\beta$-dihydroxy-dammar-20(22),24-diene. The ratio of stereoisomeric mixtures was estimated to be ca. 5:1 from intensities of the peaks in $^{1}$H- and $^{13}$C-NMR spectra. The $^{1}$H- and $^{13}$C-NMR signals of ginsenoside Rh$_{3}$, which have remained unclarified, were completely assigned by the extensive application of modern NMR techniques.

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Backbone 1H, 15N, and 13C resonance assignments and secondary structure prediction of SAV2228 (translation initiation factor-1) from Staphylococcus aureus

  • Kim, Do-Hee;Jang, Sun-Bok;Lee, Bong-Jin
    • 한국자기공명학회논문지
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    • 제16권2호
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    • pp.162-171
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    • 2012
  • SAV2228 has an OB (Oligomer-Binding)-motif which is frequently used for nucleic acid recognition. To characterize the activity of translation initiation factor-1 (IF-1) from Staphylococcus aureus, SAV2228 was expressed and purified in Escherichia coli. We acquired 3D NMR spectra showing well dispersed and homogeneous signals which allow us to assign 94.4% of all $^1HN$, $^{15}N$, $^{13}C{\alpha}$, $^{13}C{\beta}$ and $^{13}CO$ resonances. We could predict a secondary structure of SAV2228 using TALOS and CSI from NMR data. SAV2228 was consisted of one ${\alpha}$-helix and five ${\beta}$-sheets. The predicted secondary structure, ${\beta}-{\beta}-{\beta}-{\alpha}-{\beta}-{\beta}$, was similar to other bacterial IF-1, but it was not completely same to the eukaryotic one. Assigned NMR peaks and secondary structre prediction can be used for the study on interaction with nucleic acid in the future.

해면 Luffariella sp.의 화학적 성분 연구 (A Study on the Chemical Constituents from Marine Sponge Luffariella sp.)

  • 박선구;김성수;박준대;홍정선;김인규
    • 대한화학회지
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    • 제39권7호
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    • pp.559-563
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    • 1995
  • 인도네시아 Manado만의 Sulawesi에서 채집한 KB cancer cell line에 대해 in vitro로 활성을 갖는 해면 Luffariella sp.으로부터 Germacrene alcohol(1), Aaptamine(2) 및 Hexacyclic terpene(3)을 분리하였으며, 1에대한 spectral data는 문헌치와 비교${\cdot}$분석하여 수정하였다. 이들을 $^1H$, $^13C$ NMR, $^1H$ $^13C$(bond) Heteronuclear Multiple Quantum Coherence Spectroscopy(HMQC), $^1H$$^13C$(2 and 3 bond)Heteronuclear Multiple Bond Correlation Spectroscopy(HMBC), Electron Impact Mass Spectroscopy(EI ms), UV 및 IR에 의해 밝혔다.

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A New coumarin from the seeds of Jute (Corchorus olitorius L.)

  • Mukherjee, K.K.;Mitra, S.K.;Ganguly, S.N.
    • Natural Product Sciences
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    • 제4권1호
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    • pp.51-52
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    • 1998
  • From the chloroform extract of the defatted seeds of jute a new coumarin $C_9H_6O_4$, $m.p.\;178-179^{\circ}C$, was isolated. The structure of the compound was established as 4,7-dihydroxy coumarin on the basis of physical methods viz. $^1H\;NMR,\;^{13}C\;NMR$ and Ms.

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Electron Withdrawing Group을 함유한 Polythiophene의 합성과 특성에 관한 연구 (Synthesis and Characteristic of Polythiophene Containing Electron Withdrawing Group)

  • 홍혁진;한신호
    • 공업화학
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    • 제23권6호
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    • pp.539-545
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    • 2012
  • 전자를 끌어당기는 benzotriazole을 vinylene으로 thiophene과 연결한 3-(2-benzo-triazolovinyl)thiophene (BVT)을 합성하고, FT-IR 및 $^1H$-NMR, $^{13}C$-NMR, 2D hetero-cosy spectra로 구조분석을 하였다. 합성한 BVT와 3-octylthiophene (OT)을 공중합 하였다. 공중합체들은 수평균 분자량 12000 (PDI 2.67)과 15000 (PDI 2.55)을 나타내었으며, THF, TCE와 chloroform 등의 유기용매에 잘 용해되었다. 공중합체들의 BVT와 OT의 공중합된 비율은 $^1H$-NMR spectra에 의하여 BVT : OT = 1 : 1.8과 1 : 2.8 (mol/mol)로 확인되었다. 파장 470 nm와 465 nm에서 UV-vis 최대 흡수를 나타내었고, photoluminescence (PL)는 각각 ${\lambda}_{max}$ = 662 nm와 641 nm로 나타나 적색계로 관찰되었다. 공중합체의 band gap은 각각 1.96 eV, 2.02 eV로 poly(3-octylthiophene)보다 더 증가하였다. 또한, poly(3-octylthiophene)에 비해서 HOMO 에너지 준위는 모두 낮아졌으나, LUMO 에너지 준위는 모두 높아졌다.

가시오가피(Acanthopanax senticosus)의 석유에테르 추출물 중 polyacetylene계 물질의 동정 (Identification of the Polyacetylenes extracted from Acanthopanax Senticosus by Petroleum Ether)

  • 양효진;김은미;장규섭
    • 농업과학연구
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    • 제35권1호
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    • pp.11-17
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    • 2008
  • 가시오가피를 실온에서 petroleum ether로 추출한 polyacetylene의 동정하기 위하여 TLC, HPLC, UV spectrum, IR, NMR로 수행하였다. TLC에 전개시킨 결과, polyacetylene 표준품과 동일한 band가 fraction 5에서 확인되었으며, HPLC에서 fraction 5를 분리시킨 결과 retention time이 4.40, 5.36, 6.40분이었다. 이를 UV spectrum에서 확인한 결과, 6.40분의 peak(compound 3)에서 polyacetylenes의 파장인 231.0nm, 239.0nm, 257.0nm을 나타내었다. IR spetrum에서 triple bond $2256cm^{-1}$과 double bond $1654cm^{-1}$의 전형적인 peak를 나타내었으며, $^{13}C$-NMR(400MHz, $CDCl_3$)에서 polyacetylenes 전형적인 64.0, 71.2, 74.2, 80.2ppm은 2개의 triple bond에 의한 peak와 121.89, 133.0ppm에서 internal double bond로 결합된 2개의 peak를 확인 할 수 있었다.

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