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D-Glycero-D-galacto-.alpha.-D-gluco-undecopyranoside, methyl 4-azido-4-deoxy-6,7,8,9,10,11-hexakis-o-(phenylmethyl)-

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

D-Glycero-D-galacto-.alpha.-D-gluco-undecopyranoside, methyl 4-azido-4-deoxy-6,7,8,9,10,11-hexakis-o-(phenylmethyl)-
SpectraBase Compound ID 6rNywanNmm9
InChI InChI=1S/C54H59N3O10/c1-60-54-48(59)47(58)46(56-57-55)50(67-54)52(65-36-43-28-16-6-17-29-43)53(66-37-44-30-18-7-19-31-44)51(64-35-42-26-14-5-15-27-42)49(63-34-41-24-12-4-13-25-41)45(62-33-40-22-10-3-11-23-40)38-61-32-39-20-8-2-9-21-39/h2-31,45-54,58-59H,32-38H2,1H3/t45-,46+,47+,48-,49-,50+,51+,52+,53+,54+/m1/s1
InChIKey DQPVVPCMLKVUPS-RKYSASORSA-N
Mol Weight 910.1 g/mol
Molecular Formula C54H59N3O10
Exact Mass 909.420045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FOYa57EV9iw
Name D-Glycero-D-galacto-.alpha.-D-gluco-undecopyranoside, methyl 4-azido-4-deoxy-6,7,8,9,10,11-hexakis-o-(phenylmethyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 909.420045102 u
Formula C54H59N3O10
InChI InChI=1S/C54H59N3O10/c1-60-54-48(59)47(58)46(56-57-55)50(67-54)52(65-36-43-28-16-6-17-29-43)53(66-37-44-30-18-7-19-31-44)51(64-35-42-26-14-5-15-27-42)49(63-34-41-24-12-4-13-25-41)45(62-33-40-22-10-3-11-23-40)38-61-32-39-20-8-2-9-21-39/h2-31,45-54,58-59H,32-38H2,1H3/t45-,46+,47+,48-,49-,50+,51+,52+,53+,54+/m1/s1
InChIKey DQPVVPCMLKVUPS-RKYSASORSA-N
Molecular Weight 910.077 g/mol
SMILES [C@@]1([C@]([C@](O)([C@]([C@](O1)(OC)[H])(O)[H])[H])(N=[N+]=[N-])[H])([C@@]([C@]([C@]([C@](OCC1=CC=CC=C1)([C@](OCC1=CC=CC=C1)(COCC1=CC=CC=C1)[H])[H])(OCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H])[H]