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4-NITROPHENYL_2,6-DI-O-BENZOYL-BETA-D-GALACTOPYRANOSYL-(1->4)-2,3,6-TRI-O-BENZOYL-1-THIO-BETA-D-GLUCOPYRANOSIDE

View entire compound with spectra: 1 NMR

4-NITROPHENYL_2,6-DI-O-BENZOYL-BETA-D-GALACTOPYRANOSYL-(1->4)-2,3,6-TRI-O-BENZOYL-1-THIO-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 9cbFSF3i5xm
InChI InChI=1S/C53H45NO17S/c55-41-39(30-64-47(57)32-16-6-1-7-17-32)66-52(44(42(41)56)68-49(59)34-20-10-3-11-21-34)71-43-40(31-65-48(58)33-18-8-2-9-19-33)67-53(72-38-28-26-37(27-29-38)54(62)63)46(70-51(61)36-24-14-5-15-25-36)45(43)69-50(60)35-22-12-4-13-23-35/h1-29,39-46,52-53,55-56H,30-31H2/t39-,40+,41+,42+,43+,44-,45-,46+,52+,53-/m0/s1
InChIKey KYVAFCMDLSLRIG-WGZCOMPMSA-N
Mol Weight 1000.0 g/mol
Molecular Formula C53H45NO17S
Exact Mass 999.24082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CZpevJqgOoo
Name 4-NITROPHENYL_2,6-DI-O-BENZOYL-BETA-D-GALACTOPYRANOSYL-(1->4)-2,3,6-TRI-O-BENZOYL-1-THIO-BETA-D-GLUCOPYRANOSIDE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H45NO17S
InChI InChI=1S/C53H45NO17S/c55-41-39(30-64-47(57)32-16-6-1-7-17-32)66-52(44(42(41)56)68-49(59)34-20-10-3-11-21-34)71-43-40(31-65-48(58)33-18-8-2-9-19-33)67-53(72-38-28-26-37(27-29-38)54(62)63)46(70-51(61)36-24-14-5-15-25-36)45(43)69-50(60)35-22-12-4-13-23-35/h1-29,39-46,52-53,55-56H,30-31H2/t39-,40+,41+,42+,43+,44-,45-,46+,52+,53-/m0/s1
InChIKey KYVAFCMDLSLRIG-WGZCOMPMSA-N
Literature Reference Author S.CAO,Z.GAN,R.ROY
Literature Reference Citation CARBOHYDR.RES.,318,75(1999)
Literature Reference DOI 10.1016/S0008-6215(99)00080-4
Molecular Weight 999.997 g/mol
Solvent CDCl3
Source File Reference UWMZ4744