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#5;PHENYL-3-O-ACETYL-6-O-(3-O-ACETYL-4,6-O-BENZYLIDENE-2-DEOXY-2-PHTHALIMIDO-BETA-D-GLUCOPYRANOSYL)-2-AZIDO-4-O-BENZYL-2-DEOXY-1-THIO-ALPHA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID IZbIzuKhmgR
InChI InChI=1S/C44H42N4O12S/c1-25(49)56-38-34(46-47-45)44(61-29-18-10-5-11-19-29)59-32(36(38)53-22-27-14-6-3-7-15-27)23-55-43-35(48-40(51)30-20-12-13-21-31(30)41(48)52)39(57-26(2)50)37-33(58-43)24-54-42(60-37)28-16-8-4-9-17-28/h3-21,32-39,42-44H,22-24H2,1-2H3/t32-,33+,34-,35+,36-,37+,38-,39+,42+,43+,44-/m0/s1
InChIKey UQKADZFUZZWDJJ-BJQJCURMSA-N
Mol Weight 850.9 g/mol
Molecular Formula C44H42N4O12S
Exact Mass 850.251994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kcimu5rbzSU
Name #5;PHENYL-3-O-ACETYL-6-O-(3-O-ACETYL-4,6-O-BENZYLIDENE-2-DEOXY-2-PHTHALIMIDO-BETA-D-GLUCOPYRANOSYL)-2-AZIDO-4-O-BENZYL-2-DEOXY-1-THIO-ALPHA-D-GLUCOPYRANOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H42N4O12S
InChI InChI=1S/C44H42N4O12S/c1-25(49)56-38-34(46-47-45)44(61-29-18-10-5-11-19-29)59-32(36(38)53-22-27-14-6-3-7-15-27)23-55-43-35(48-40(51)30-20-12-13-21-31(30)41(48)52)39(57-26(2)50)37-33(58-43)24-54-42(60-37)28-16-8-4-9-17-28/h3-21,32-39,42-44H,22-24H2,1-2H3/t32-,33+,34-,35+,36-,37+,38-,39+,42+,43+,44-/m0/s1
InChIKey UQKADZFUZZWDJJ-BJQJCURMSA-N
Literature Reference Author A.V.DEMCHENKO,M.A.WOLFERT,B.SANTHANAM,J.N.MOORE,G.J.BOONS
Literature Reference Citation J.AM.CHEM.SOC.,125,6103(2003)
Literature Reference DOI 10.1021/ja029316s
Molecular Weight 850.897 g/mol
Sample ID 41048
Solvent CDCl3