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object
{15}
_id
:
GTVaT5QIGxg
spectrumID
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GTVaT5QIGxg
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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WRX:154751:1
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
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(1'R,2R,3R,4S,5R)-[3,4-DIBENZYLOXY-5-BENZYLOXYMETHYL-2-(1',2'-DIHYDROXY-ETHYL)]-PYRROLIDINE
SpectraBase Compound ID L3mJdUMioSi
InChI InChI=1S/C28H33NO5/c30-16-25(31)26-28(34-19-23-14-8-3-9-15-23)27(33-18-22-12-6-2-7-13-22)24(29-26)20-32-17-21-10-4-1-5-11-21/h1-15,24-31H,16-20H2/t24-,25-,26-,27+,28-/m1/s1
InChIKey CIKICCHRCOXGCC-VNFNVIIVSA-N
Mol Weight 463.6 g/mol
Molecular Formula C28H33NO5
Exact Mass 463.235873 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 GTVaT5QIGxg
Name (1'R,2R,3R,4S,5R)-[3,4-DIBENZYLOXY-5-BENZYLOXYMETHYL-2-(1',2'-DIHYDROXY-ETHYL)]-PYRROLIDINE
Compound Number 16
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H33NO5
InChI InChI=1S/C28H33NO5/c30-16-25(31)26-28(34-19-23-14-8-3-9-15-23)27(33-18-22-12-6-2-7-13-22)24(29-26)20-32-17-21-10-4-1-5-11-21/h1-15,24-31H,16-20H2/t24-,25-,26-,27+,28-/m1/s1
InChIKey CIKICCHRCOXGCC-VNFNVIIVSA-N
Literature Reference Author C.SAOTOME,Y.KANIE,O.KANIE,C.H.WONG
Literature Reference Citation BIOORG.MED.CHEM.,8,2249(2000)
Literature Reference DOI 10.1016/S0968-0896(00)00170-X
Molecular Weight 463.574 g/mol
Solvent CDCl3
Source File Reference UWVN20399
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