• 제목/요약/키워드: $^1H$ and $^{13}C$ NMR

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2D-NMR 기법을 이용한 (20S)와 (20R)-Protopanaxadiol의 $^{1}H$- 및 $^{13}C$-NMR 완전 동정 (Complete Assignment of $^{1}H$ and $^{13}C$-NMR Signals for (20S) and (20R)-Protopanaxadiol by 2D-NMR Techniques)

  • 백남인;김동선
    • Journal of Ginseng Research
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    • 제19권1호
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    • pp.45-50
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    • 1995
  • (20S)- and (20R)-protopanaxadiol were prepared from crude ginseng saponin by chemical treatment. The $^{1}H$- and $^{13}C$-NMR signals of these compounds were fully assigned by various NMR techniques such as DEPT, 1H-1H COSY, HMQC, HMBC and NOESY.

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Structural characteristics of [N(CH3)4]2CdCl4 determined by 1H MAS NMR, 13C CP/ MAS NMR, and 14N NMR

  • Lee, Seung Jin;Lim, Ae Ran
    • 한국자기공명학회논문지
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    • 제19권1호
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    • pp.18-22
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    • 2015
  • The structural geometry of $[N(CH_3)_4]_2CdCl_4$ in a hexagonal phase is studied by $^1H$ MAS NMR, $^{13}C$ CP/MAS NMR, and $^{14}N$ NMR. The changes in the chemical shifts for $^{13}C$ and $^{14}N$ in the hexagonal phase are explained by the structural geometry. In addition, the temperature dependencies of the spin-lattice relaxation time in the rotating frame $T_{1{\rho}}$ for $^1H$ MAS NMR and $^{13}C$ CP/MAS NMR are measured.

2D-NMR 기법을 이용한 (20S)-와 (20R)-ginsenoside $Rh_2$$^1H-$$^{13}C-NMR$ Signals의 완전 동정 (Complete Assignment of $^1H-$ and $^{13}C-NMR$ Signals for (20S)- and (20R)-ginsenoside $Rh_2$ by 2D-NMR Techniques)

  • 김동선;이유희;박종대;정소영;이천배;김신일;백남인
    • Applied Biological Chemistry
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    • 제38권2호
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    • pp.184-189
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    • 1995
  • 인삼의 다이올계 조사포닌 분획으로 부터 및 단계의 화학반응을 이용하여 (20S)-ginsenoside $Rh_2$ 및 그 입체이성체인 (20R)-ginsenoside $Rh_2$를 제조하였다. 또한 DEPT, $^1H-^1H$ COSY, HMQC, HMBC 및 NOESY와 같은 NMR 기법을 이용하여 두 화합물의 $^1H-NMR$$^{13}C-NMR$의 signal들을 완전히 동정하였다.

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5,7-Diaryl-3,4,6-trihydronaphthalen-2-ones의 One-pot 합성 (One-pot Synthesis of 5,7-Diaryl-3,4,6-trihydronaphthalen-2-ones)

  • Gopalakrishnan, M.;Manikandan, H.;Sureshkumar, P.;Thanusu, J.;Kanagarajan, V.
    • 대한화학회지
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    • 제51권4호
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    • pp.356-360
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    • 2007
  • sodium ethoxide의 존재하에서 3,5-diaryl-cyclohex-2-en-1-one와 methyl vinyl ketone로부터 5,7-Diaryl- 3,4,6-trihydronaphthalen-2-ones가 합성되었다. 이 생성물은 IR, UV-Visible, 1H-NMR, 13C-NMR 그리고 mass spectral techniques로 구조를 규명하였다. 1H과 13C signals의 피크들은 HSQC spectrum을 찍어 정확히 규명하였다.

$[Ph_3P(OH)]^+[ $N_3$^-$의 분리 및 구조 (Isolation and Structure of $[Ph_3P(OH)]^+[ $N_3$]^-$)

  • Beom Jun Lee;Won Seok Han;Soon Won Lee
    • 한국결정학회지
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    • 제12권3호
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    • pp.141-144
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    • 2001
  • Na[Ga(N₃)₄]와 PPh₃의 반응으로부터 이온성 화합물 [Ph₃P(OH)]/sup +/[N₃]/sup -/ (1)이 분리되었다. 화합물1의 구조가 분광학적 방법(¹H-NMR, /sup 13/C{¹H-NMR, IR) 및 X-ray 회절법으로 규명되었다. 화합물1의 결정학 자료 : 사방정계 공간군 P2₁2₁2₁, a = 10.491(4)Å, b=11.603(5)Å, c=13.149(5)Å, Z=4, R(wR₂)=0.0547(0.0978).

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갓(Brassica juncea)의 주 항균물질의 구조 분석 (Structural Analysis of Major Antimicrobial Substance Obtained from Leaf Mustard(Brassica juncea))

  • 강성구
    • 한국식품영양과학회지
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    • 제24권5호
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    • pp.702-706
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    • 1995
  • A major component(compound A) in the ethylacetate fraction exhibited a strong antimicrobial activity was identified by UV, IR, FABMS and NMR. The compound A showed strong absorbance at 209, 259 and 359nm, indicating a flavonoid ring structure. IR spectrum possessed absorbance of OH at 3400∼3300cm-1, ketone at around 1650cm-1, and aromatic C=C at around 1660cm-1. Molecular weight of the compound A calculated as 478 from the information of m/z 479(M+H)+ and m/z 477(M-H)+ in the FABMS spectrum. Molecular formula of this compound was found to be C22H22O12 from m/z 479.1220(+3.1mmu for C22H23O12) of HRFABMS spectrum and from 13C-NMR spectrum. 1H-NMR and 13C-NMR spectra of the compound A revealed aromatic proton and benzene rings. Distortionless enhancement by polarization transfer(DEPT) exhibited that the compound A possessed 10 quaternary carbons and 3 substituted benzene rings including a methoxy group substitution. The compound A was identified as isorhamnetin 3-O-β-glucopyranoside by spectrophotometric methods in conjunction with 1H-1H COSY, 1H-13C COSY and HMBC, which revealed a flavone with OH group at 3, 5, 7, and 4' and methoxy group at 3' positions esterified to glucose.

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trans-Dichlorobis(diisopropylaniline) palladium(II), trans-$[Pd(NH_2-C_6H_3-2, 6-i-Pr_2)_2Cl_2]$의 합성 및 구조 (Synthesis and Structure of trans-Dichlorobis(diisopropylaniline) palladium(II), trans-$[Pd(NH_2-C_6H_3-2, 6-i-Pr_2)_2Cl_2]$)

  • Hye Jin Kim;Won Seok Han;Soon Won Lee
    • 한국결정학회지
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    • 제12권3호
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    • pp.137-140
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    • 2001
  • 화합물 PdCl₂(PhC≡N)₂(1) 와 2.6-diisopropylaniline 이 반응하여 trans-[Pd(NH₂-C/sub 6/-H₃-2, 6-i-Pr₂)₂Cl₂] (2)가 합성하였다. 화합물 2의 구조가 분광학적 방법(¹H-NMR, /sup 13/C-NMR, IR) 및 X-ray 회절법으로 규명되었다. 화합물 2의 결정학 자료: 단사정계 공간군 P2₁/n, a=13.532(3)Å, b=5.749(1)Å, c=17.880(4)Å, β=103.84(2)°, Z=2, R(wR₂)=0.0466(0.1226).

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해면의 화학적 성분 연구 (The Chemical Constituents from Unidentified Sponge)

  • 박선구
    • 대한화학회지
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    • 제38권2호
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    • pp.169-173
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    • 1994
  • 인도네시아 Manado만의 Sulawesi에서 채집한 미동정된 해면으로부터 KB cancer cell line에 대해 활성을 갖는 xestoquinone, halenaquinol sulfate 및 halenaquinol이 검출되었다. 이들을 $^1H-,\;^{13}C$-NMR, $^1H-,\;^{13}C$(1 bond) heteronuclear Multiple Quantum Cogerence Spectroscopy$(HMQC)^1$, $^1H-,\;^{13}C$C(2 and 3 bond) Heteronuclear multiple Bond Correlation Spectroscopy$(HMBC)^2$, Electron Impact Mass Spectroscopy(EI ms), UV 및 IR에 의해 밝혔다.

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The 1H and 13C NMR Data of 19 Methoxyflavonol Derivatives

  • Park, Young-Hee;Moon, Byoung-Ho;Lee, Eun-Jung;Hong, Sun-Hee;Lee, Sun-Hee;Lim, Yoong-Ho
    • Bulletin of the Korean Chemical Society
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    • 제29권1호
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    • pp.81-84
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    • 2008
  • In the present study, we report 1H and 13C NMR data of 19 methoxyflavonol derivatives with different substitution patterns on A- and B-ring. In addition, the influence of the methoxy substituents in A- and B-ring on the 1H and 13C NMR chemical shifts is discussed: the 1H and 13C chemical shifts of and the number of methoxyl groups provided information allowing elimination of many structural isomers from consideration and in certain instances greatly simplified structural elucidation.