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object
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_id
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JFjUQ7obEJK
spectrumID
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JFjUQ7obEJK
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specType
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262144
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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compound
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FORSYTHOSIDE_B_TETRAMETHYLETHER;BETA-(3,4-DIMETHOXYPHENYL)-ETHYL-4-(6-O,7-O-DIMETHYLCAFFEOYL)-6-BETA-APIOSYL-3-ALPHA-RHAMNOSYLGLUCOSIDE
SpectraBase Compound ID Em6VLThTkWH
InChI InChI=1S/C38H52O19/c1-19-28(41)29(42)30(43)36(54-19)57-33-31(44)35(51-13-12-21-7-10-23(48-3)25(15-21)50-5)55-26(16-52-37-34(45)38(46,17-39)18-53-37)32(33)56-27(40)11-8-20-6-9-22(47-2)24(14-20)49-4/h6-11,14-15,19,26,28-37,39,41-46H,12-13,16-18H2,1-5H3/b11-8+/t19-,26-,28-,29+,30+,31-,32-,33-,34-,35-,36-,37+,38+/m0/s1
InChIKey CNEYHVXFOYMYKU-WCCARZBZSA-N
Mol Weight 812.8 g/mol
Molecular Formula C38H52O19
Exact Mass 812.310279 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JFjUQ7obEJK
Name FORSYTHOSIDE_B_TETRAMETHYLETHER;BETA-(3,4-DIMETHOXYPHENYL)-ETHYL-4-(6-O,7-O-DIMETHYLCAFFEOYL)-6-BETA-APIOSYL-3-ALPHA-RHAMNOSYLGLUCOSIDE
Compound Number 3A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H52O19
InChI InChI=1S/C38H52O19/c1-19-28(41)29(42)30(43)36(54-19)57-33-31(44)35(51-13-12-21-7-10-23(48-3)25(15-21)50-5)55-26(16-52-37-34(45)38(46,17-39)18-53-37)32(33)56-27(40)11-8-20-6-9-22(47-2)24(14-20)49-4/h6-11,14-15,19,26,28-37,39,41-46H,12-13,16-18H2,1-5H3/b11-8+/t19-,26-,28-,29+,30+,31-,32-,33-,34-,35-,36-,37+,38+/m0/s1
InChIKey CNEYHVXFOYMYKU-WCCARZBZSA-N
Literature Reference Author K.ENDO,K.TAKAHASHI
Literature Reference Citation HETEROCYCLES,30,291(1990)
Literature Reference DOI 10.3987/COM-89-S36
Molecular Weight 812.819 g/mol
Solvent C5D5N
Source File Reference UWMZ982
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