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N-(METHYL-2,3,4-TRI-O-BENZYL-6-DEOXY-ALPHA-D-GLUCOPYRANOSID-6-YL)-N-(ETHYL-4-DEOXY-ALPHA-D-MANNOPYRANOSID-4-YL)-2-NITROBENZENESULFONAMIDE
SpectraBase Compound ID IvAn1rA56Qy
InChI InChI=1S/C42H50N2O14S/c1-3-53-41-37(47)36(46)35(33(24-45)58-41)43(59(50,51)34-22-14-13-21-31(34)44(48)49)23-32-38(54-25-28-15-7-4-8-16-28)39(55-26-29-17-9-5-10-18-29)40(42(52-2)57-32)56-27-30-19-11-6-12-20-30/h4-22,32-33,35-42,45-47H,3,23-27H2,1-2H3/t32-,33-,35-,36+,37+,38-,39+,40-,41+,42+/m0/s1
InChIKey PJUFIOJDCNJPPY-NZKFDUIBSA-N
Mol Weight 838.9 g/mol
Molecular Formula C42H50N2O14S
Exact Mass 838.298275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gba21T8K0u8
Name N-(METHYL-2,3,4-TRI-O-BENZYL-6-DEOXY-ALPHA-D-GLUCOPYRANOSID-6-YL)-N-(ETHYL-4-DEOXY-ALPHA-D-MANNOPYRANOSID-4-YL)-2-NITROBENZENESULFONAMIDE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H50N2O14S
InChI InChI=1S/C42H50N2O14S/c1-3-53-41-37(47)36(46)35(33(24-45)58-41)43(59(50,51)34-22-14-13-21-31(34)44(48)49)23-32-38(54-25-28-15-7-4-8-16-28)39(55-26-29-17-9-5-10-18-29)40(42(52-2)57-32)56-27-30-19-11-6-12-20-30/h4-22,32-33,35-42,45-47H,3,23-27H2,1-2H3/t32-,33-,35-,36+,37+,38-,39+,40-,41+,42+/m0/s1
InChIKey PJUFIOJDCNJPPY-NZKFDUIBSA-N
Literature Reference Author I.CUMPSTEY,J.FRIGELL,E.PERSHAGEN,T.AKHTAR,E.MORENO-CLAVIJO,I .ROBINA,D.S.ALONZI
Literature Reference Citation BEIL.J.ORG.CHEM.,7,1115(2011)
Literature Reference DOI 10.3762/bjoc.7.128
Molecular Weight 838.924 g/mol
Solvent CDCl3
Source File Reference UWBT9848