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P-TOLYL-2,4,6-TRI-O-BENZOYL-1-THIO-3-O-(2,3,4-TRI-O-BENZOYL-ALPHA-L-RHAMNOPYRANOSYL)-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID 60g2bvNcqVK
InChI InChI=1S/C61H52O15S/c1-38-33-35-46(36-34-38)77-61-53(75-59(67)45-31-19-8-20-32-45)51(49(72-56(64)42-25-13-5-14-26-42)47(70-61)37-68-54(62)40-21-9-3-10-22-40)76-60-52(74-58(66)44-29-17-7-18-30-44)50(73-57(65)43-27-15-6-16-28-43)48(39(2)69-60)71-55(63)41-23-11-4-12-24-41/h3-36,39,47-53,60-61H,37H2,1-2H3/t39-,47+,48-,49-,50+,51-,52+,53+,60-,61-/m0/s1
InChIKey PLIAIHRZFBZKGB-AWHQLBDESA-N
Mol Weight 1057.1 g/mol
Molecular Formula C61H52O15S
Exact Mass 1056.302692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5QIpiagoFwc
Name P-TOLYL-2,4,6-TRI-O-BENZOYL-1-THIO-3-O-(2,3,4-TRI-O-BENZOYL-ALPHA-L-RHAMNOPYRANOSYL)-BETA-D-GALACTOPYRANOSIDE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C61H52O15S
InChI InChI=1S/C61H52O15S/c1-38-33-35-46(36-34-38)77-61-53(75-59(67)45-31-19-8-20-32-45)51(49(72-56(64)42-25-13-5-14-26-42)47(70-61)37-68-54(62)40-21-9-3-10-22-40)76-60-52(74-58(66)44-29-17-7-18-30-44)50(73-57(65)43-27-15-6-16-28-43)48(39(2)69-60)71-55(63)41-23-11-4-12-24-41/h3-36,39,47-53,60-61H,37H2,1-2H3/t39-,47+,48-,49-,50+,51-,52+,53+,60-,61-/m0/s1
InChIKey PLIAIHRZFBZKGB-AWHQLBDESA-N
Literature Reference Author A.VARGAS-BERENGUEL,M.MELDAL,H.PAULSEN,K.J.JENSEN,K.BOCK
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3287(1994)
Literature Reference DOI 10.1039/p19940003287
Molecular Weight 1057.135 g/mol
Solvent CDCl3
Source File Reference UWRU4382