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1,4-BIS-(METHYL-5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYLOXYONATE-PROP-2-YNYL)-BENZENE
SpectraBase Compound ID C1CPCfqSH5X
InChI InChI=1S/C52H64N2O26/c1-27(55)53-43-39(73-31(5)59)23-51(49(65)67-11,79-47(43)45(77-35(9)63)41(75-33(7)61)25-69-29(3)57)71-21-13-15-37-17-19-38(20-18-37)16-14-22-72-52(50(66)68-12)24-40(74-32(6)60)44(54-28(2)56)48(80-52)46(78-36(10)64)42(76-34(8)62)26-70-30(4)58/h17-20,39-48H,21-26H2,1-12H3,(H,53,55)(H,54,56)/t39-,40-,41-,42+,43+,44+,45+,46+,47+,48+,51+,52+/m0/s1
InChIKey YUPWOIUNGRUKTD-PRAMCETCSA-N
Mol Weight 1133.1 g/mol
Molecular Formula C52H64N2O26
Exact Mass 1132.37473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 95CSKWGhx8F
Name 1,4-BIS-(METHYL-5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYLOXYONATE-PROP-2-YNYL)-BENZENE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H64N2O26
InChI InChI=1S/C52H64N2O26/c1-27(55)53-43-39(73-31(5)59)23-51(49(65)67-11,79-47(43)45(77-35(9)63)41(75-33(7)61)25-69-29(3)57)71-21-13-15-37-17-19-38(20-18-37)16-14-22-72-52(50(66)68-12)24-40(74-32(6)60)44(54-28(2)56)48(80-52)46(78-36(10)64)42(76-34(8)62)26-70-30(4)58/h17-20,39-48H,21-26H2,1-12H3,(H,53,55)(H,54,56)/t39-,40-,41-,42+,43+,44+,45+,46+,47+,48+,51+,52+/m0/s1
InChIKey YUPWOIUNGRUKTD-PRAMCETCSA-N
Literature Reference Author Z.GAN,R.ROY
Literature Reference Citation CAN.J.CHEM.,80,908(2002)
Literature Reference DOI 10.1139/v02-053
Molecular Weight 1133.078 g/mol
Solvent CDCl3
Source File Reference UWLU29941