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P-TOLYL-2-O-BENZOYL-4,6-O-BENZYLIDENE-1-THIO-3-O-(2,3,4-TRI-O-BENZOYL-ALPHA-L-RHAMNOPYRANOSYL)-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID 6EelLFX4CAb
InChI InChI=1S/C54H48O13S/c1-33-28-30-40(31-29-33)68-54-47(65-51(58)38-24-14-6-15-25-38)45(43-41(61-54)32-59-52(66-43)39-26-16-7-17-27-39)67-53-46(64-50(57)37-22-12-5-13-23-37)44(63-49(56)36-20-10-4-11-21-36)42(34(2)60-53)62-48(55)35-18-8-3-9-19-35/h3-31,34,41-47,52-54H,32H2,1-2H3/t34-,41-,42-,43+,44+,45+,46+,47-,52?,53-,54+/m0/s1
InChIKey GIULMRJWIAYFAL-BTTPNFCCSA-N
Mol Weight 937.0 g/mol
Molecular Formula C54H48O13S
Exact Mass 936.281563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9E4Q1Z9PuuJ
Name P-TOLYL-2-O-BENZOYL-4,6-O-BENZYLIDENE-1-THIO-3-O-(2,3,4-TRI-O-BENZOYL-ALPHA-L-RHAMNOPYRANOSYL)-BETA-D-GALACTOPYRANOSIDE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H48O13S
InChI InChI=1S/C54H48O13S/c1-33-28-30-40(31-29-33)68-54-47(65-51(58)38-24-14-6-15-25-38)45(43-41(61-54)32-59-52(66-43)39-26-16-7-17-27-39)67-53-46(64-50(57)37-22-12-5-13-23-37)44(63-49(56)36-20-10-4-11-21-36)42(34(2)60-53)62-48(55)35-18-8-3-9-19-35/h3-31,34,41-47,52-54H,32H2,1-2H3/t34-,41-,42-,43+,44+,45+,46+,47-,52?,53-,54+/m0/s1
InChIKey GIULMRJWIAYFAL-BTTPNFCCSA-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 937.027 g/mol
Solvent CDCl3
Source File Reference UWRU4381