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1-o-Methyl-4,6-o-benzylidene-2,3-dideoxy-.alpha.,D-glucopyranosido[2,3-H]-N-(o,o-diethylphosphonoethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-o-Methyl-4,6-o-benzylidene-2,3-dideoxy-.alpha.,D-glucopyranosido[2,3-H]-N-(o,o-diethylphosphonoethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
SpectraBase Compound ID 8lK2G787cFI
InChI InChI=1S/C28H46NO11P/c1-4-37-41(30,38-5-2)20-13-29-11-14-32-16-18-34-25-24-23(21-36-27(40-24)22-9-7-6-8-10-22)39-28(31-3)26(25)35-19-17-33-15-12-29/h6-10,23-28H,4-5,11-21H2,1-3H3/t23-,24-,25+,26-,27?,28+/m1/s1
InChIKey HNQDQLJRWICSKR-GUONBBAESA-N
Mol Weight 603.6 g/mol
Molecular Formula C28H46NO11P
Exact Mass 603.280848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8XblkVYDUXD
Name 1-o-Methyl-4,6-o-benzylidene-2,3-dideoxy-.alpha.,D-glucopyranosido[2,3-H]-N-(o,o-diethylphosphonoethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 603.280848292 u
Formula C28H46NO11P
InChI InChI=1S/C28H46NO11P/c1-4-37-41(30,38-5-2)20-13-29-11-14-32-16-18-34-25-24-23(21-36-27(40-24)22-9-7-6-8-10-22)39-28(31-3)26(25)35-19-17-33-15-12-29/h6-10,23-28H,4-5,11-21H2,1-3H3/t23-,24-,25+,26-,27?,28+/m1/s1
InChIKey HNQDQLJRWICSKR-GUONBBAESA-N
Molecular Weight 603.646 g/mol
SMILES [C@@]12([C@]3([C@](OCCOCCN(CCOCCO3)CCP(=O)(OCC)OCC)([H])[C@](O[C@@]1(COC(O2)C=1C=CC=CC1)[H])(OC)[H])[H])[H]