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1-o-Methyl-4,6-o-benzylidene-2,3-dideoxy-.alpha.,D-glucopyranosido[2,3-H]-N-(o,o-diethylphosphonobutyl)-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-diethylphosphonobutyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
SpectraBase Compound ID J98IHeWH8Ap
InChI InChI=1S/C30H50NO11P/c1-4-39-43(32,40-5-2)22-10-9-13-31-14-16-34-18-20-36-27-26-25(23-38-29(42-26)24-11-7-6-8-12-24)41-30(33-3)28(27)37-21-19-35-17-15-31/h6-8,11-12,25-30H,4-5,9-10,13-23H2,1-3H3/t25-,26-,27+,28-,29?,30+/m1/s1
InChIKey NVTKRIUACZAABY-QKDKHZFBSA-N
Mol Weight 631.7 g/mol
Molecular Formula C30H50NO11P
Exact Mass 631.312148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5zn7LTFXcoj
Name 1-o-Methyl-4,6-o-benzylidene-2,3-dideoxy-.alpha.,D-glucopyranosido[2,3-H]-N-(o,o-diethylphosphonobutyl)-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 631.312148421 u
Formula C30H50NO11P
InChI InChI=1S/C30H50NO11P/c1-4-39-43(32,40-5-2)22-10-9-13-31-14-16-34-18-20-36-27-26-25(23-38-29(42-26)24-11-7-6-8-12-24)41-30(33-3)28(27)37-21-19-35-17-15-31/h6-8,11-12,25-30H,4-5,9-10,13-23H2,1-3H3/t25-,26-,27+,28-,29?,30+/m1/s1
InChIKey NVTKRIUACZAABY-QKDKHZFBSA-N
Molecular Weight 631.700 g/mol
SMILES [C@@]12([C@]3([C@](OCCOCCN(CCOCCO3)CCCCP(=O)(OCC)OCC)([H])[C@](O[C@@]1(COC(O2)C=1C=CC=CC1)[H])(OC)[H])[H])[H]