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[2-AZIDO-3,6-DI-O-BENZYL-2-N-(TERT.-BUTYLOXYCARBONYL)-AMINO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]-(1->6)-1-O-BENZOYL-2,3,4,5-TETRA-O-BENZYL-MYO-INOSITOL
SpectraBase Compound ID Cwc876Lf892
InChI InChI=1S/C66H71NO13/c1-66(2,3)80-65(70)67-54-56(72-40-47-27-13-5-14-28-47)55(68)53(45-71-39-46-25-11-4-12-26-46)77-64(54)79-62-60(76-44-51-35-21-9-22-36-51)58(74-42-49-31-17-7-18-32-49)57(73-41-48-29-15-6-16-30-48)59(75-43-50-33-19-8-20-34-50)61(62)78-63(69)52-37-23-10-24-38-52/h4-38,53-62,64,68H,39-45H2,1-3H3,(H,67,70)/t53-,54-,55-,56-,57+,58+,59+,60-,61+,62+,64-/m1/s1
InChIKey MHKKFSJYSRGENR-ZMWIXKHOSA-N
Mol Weight 1086.3 g/mol
Molecular Formula C66H71NO13
Exact Mass 1085.492541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5IxVtp2hS00
Name [2-AZIDO-3,6-DI-O-BENZYL-2-N-(TERT.-BUTYLOXYCARBONYL)-AMINO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]-(1->6)-1-O-BENZOYL-2,3,4,5-TETRA-O-BENZYL-MYO-INOSITOL
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C66H71NO13
InChI InChI=1S/C66H71NO13/c1-66(2,3)80-65(70)67-54-56(72-40-47-27-13-5-14-28-47)55(68)53(45-71-39-46-25-11-4-12-26-46)77-64(54)79-62-60(76-44-51-35-21-9-22-36-51)58(74-42-49-31-17-7-18-32-49)57(73-41-48-29-15-6-16-30-48)59(75-43-50-33-19-8-20-34-50)61(62)78-63(69)52-37-23-10-24-38-52/h4-38,53-62,64,68H,39-45H2,1-3H3,(H,67,70)/t53-,54-,55-,56-,57+,58+,59+,60-,61+,62+,64-/m1/s1
InChIKey MHKKFSJYSRGENR-ZMWIXKHOSA-N
Literature Reference Author K.PEKARI,R.R.SCHMIDT
Literature Reference Citation J.ORG.CHEM.,68,1295(2003)
Literature Reference DOI 10.1021/jo026380j
Molecular Weight 1086.289 g/mol
Solvent Unknown
Source File Reference UWVN25525