Licoricesaponin A3

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==NMR Data==
 
==NMR Data==
[[Image:Licoricesaponin_A3_HNMR.jpg|thumb|600px|left|Licoricesaponin_A3 Methyl ester ]]
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[[Image:Licoricesaponin_A3_HNMR.gif|thumb|600px|left|Licoricesaponin_A3 Methyl ester ]]
  
  
[[Image:Licoricesaponin_A3_CNMR.jpg|thumb|600px|left|Licoricesaponin_A3 Methyl ester ]]
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[[Image:Licoricesaponin_A3_CNMR.gif|thumb|600px|left|Licoricesaponin_A3 Methyl ester ]]
  
  

Revision as of 13:56, 9 December 2009



Upper classes



Licoricesaponin A3
Licoricesaponin A3.png
Structural Information
Systematic Name (3.beta.,20.beta.)-29-(.beta.-D-glucopyranosyloxy)-11,29-dioxoolean-12-en-3-yl 2-O-.beta.-D-glucopyranuronosyl-.beta.-D-Glucopyranosiduronic acid
Common Name
  • Licoricesaponin A3
Symbol
Formula C48H72O21
Exact Mass 984.456609366
Average Mass 985.07268
SMILES C(C86)(=C1)C(CCC(CCC(C)(C8)C(OC(O7)C(C(C(O)C7CO)O)O)=O)6C)(C)C(C)(C2)C(C(C)(C5)C(C(C(C5)OC(C(OC(C4O)OC(C(C(O)4)O)C(O)=O)3)OC(C(O)C(O)3)C(O)=O)(C)C)C2)C(=O)1
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms




Glycyrrhizae Radix LC-MS


Mass Spectral Data

Positive ESI
Positive ESI MS2 from 985.4554 (M+H)+
Negative ESI


Negative ESI MS2 from 983.4231 (M-H)-
Instrument Shimadzu LC-IT-TOF MS ESI
Column Waters Atlantis T3 (2.1 mm x 150 mm)
Column Temperature 40 °C
Solvent A 5 mM Ammonium acetate solution
Solvent B acetonitrile
Gradient 10% to 100% Solvent B (0-30 min), 100% Solvent B (30-40 min)
Source voltage – 3.5 kV (negative), 4.5 kV (positive)
Capillary temperature 200 °C
Nebulizer gas 1.5 l/min


NMR Data

Licoricesaponin_A3 Methyl ester


Licoricesaponin_A3 Methyl ester


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