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

View entire compound with spectra: 1 MS (GC)

1-O-Methyl-4,6-O-benzylidene-2,3-dideoxy-.alpha.,D-glucopyranosido[2,3-h]-N-(O,O-diethylphosphonopentyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
SpectraBase Compound ID 22PQ9CZRou5
InChI InChI=1S/C31H52NO11P/c1-4-40-44(33,41-5-2)23-11-7-10-14-32-15-17-35-19-21-37-28-27-26(24-39-30(43-27)25-12-8-6-9-13-25)42-31(34-3)29(28)38-22-20-36-18-16-32/h6,8-9,12-13,26-31H,4-5,7,10-11,14-24H2,1-3H3/t26-,27-,28+,29-,30?,31+/m1/s1
InChIKey ITLHKBVUEQRBFX-HMQNZOLESA-N
Mol Weight 645.7 g/mol
Molecular Formula C31H52NO11P
Exact Mass 645.327798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7frK5JzjiIH
Name 1-O-Methyl-4,6-O-benzylidene-2,3-dideoxy-.alpha.,D-glucopyranosido[2,3-h]-N-(O,O-diethylphosphonopentyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52NO11P
InChI InChI=1S/C31H52NO11P/c1-4-40-44(33,41-5-2)23-11-7-10-14-32-15-17-35-19-21-37-28-27-26(24-39-30(43-27)25-12-8-6-9-13-25)42-31(34-3)29(28)38-22-20-36-18-16-32/h6,8-9,12-13,26-31H,4-5,7,10-11,14-24H2,1-3H3/t26-,27-,28+,29-,30?,31+/m1/s1
InChIKey ITLHKBVUEQRBFX-HMQNZOLESA-N
Molecular Weight 645.727 g/mol
SMILES [C@@]12([C@]3([C@](OCCOCCN(CCOCCO3)CCCCCP(=O)(OCC)OCC)([H])[C@](O[C@@]1(COC(O2)c1ccccc1)[H])(OC)[H])[H])[H]
SPLASH splash10-0zg0-0390301000-84396da156258eb45105
Source of Spectrum QC-10-2379-5e
Wiley ID 871491