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object
{15}
_id
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CNu7mQkDuo8
spectrumID
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CNu7mQkDuo8
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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WRX:98099:1
hasStructureAssignments
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properties
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
isFullSpectrum
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spectralOutlier
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compound
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1735074081058
isDeprecated
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false

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AMMONIUM-[2-ACETAMIDO-1-O-ALLYL-2,6-DIDEOXY-BETA-D-GLUCOPYRANOS-6-YL-O-(L-GLYCERO-ALPHA-D-MANNO-HEPTOPYRANOSYL)-(1''->5'')-3-DEOXY-ALPHA-D-MANNO-OCT
SpectraBase Compound ID FPhaicW7TOL
InChI InChI=1S/C26H44NO22P.2H3N/c1-3-4-43-23-14(27-9(2)30)16(34)15(33)13(45-23)8-44-26(25(38)39)5-12(49-50(40,41)42)22(21(48-26)11(32)7-29)47-24-19(37)17(35)18(36)20(46-24)10(31)6-28;;/h3,10-24,28-29,31-37H,1,4-8H2,2H3,(H,27,30)(H,38,39)(H2,40,41,42);2*1H3/t10-,11+,12+,13-,14-,15-,16-,17+,18+,19+,20-,21+,22+,23-,24-,26+;;/m0../s1
InChIKey GYDBCGPCTSWJTK-ZGOBNKOCSA-N
Mol Weight 787.66 g/mol
Molecular Formula C26H50N3O22P
Exact Mass 787.262357 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 CNu7mQkDuo8
Name AMMONIUM-[2-ACETAMIDO-1-O-ALLYL-2,6-DIDEOXY-BETA-D-GLUCOPYRANOS-6-YL-O-(L-GLYCERO-ALPHA-D-MANNO-HEPTOPYRANOSYL)-(1''->5'')-3-DEOXY-ALPHA-D-MANNO-OCT
Compound Number 33
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H49N3O22P
InChI InChI=1S/C26H44NO22P.2H3N/c1-3-4-43-23-14(27-9(2)30)16(34)15(33)13(45-23)8-44-26(25(38)39)5-12(49-50(40,41)42)22(21(48-26)11(32)7-29)47-24-19(37)17(35)18(36)20(46-24)10(31)6-28;;/h3,10-24,28-29,31-37H,1,4-8H2,2H3,(H,27,30)(H,38,39)(H2,40,41,42);2*1H3/t10-,11+,12+,13-,14-,15-,16-,17+,18+,19+,20-,21+,22+,23-,24-,26+;;/m0../s1
InChIKey GYDBCGPCTSWJTK-ZGOBNKOCSA-N
Literature Reference Author H.SEKLJIC,N.WIMMER,A.HOFINGER,H.BRADE,P.KOSMA
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1973(1997)
Literature Reference DOI 10.1039/a700497d
Molecular Weight 786.656 g/mol
Solvent PD=7,5-8,5
Source File Reference UWRU7770
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