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PHENYL-2,3,6-TRI-O-BENZOYL-BETA-D-GALACTOPYRANOSYL-(1->4)-2,3,6-TRI-O-BENZOYL-1-THIO-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 6fF07KT9gap
InChI InChI=1S/C60H50O16S/c61-47-45(36-68-53(62)38-22-8-1-9-23-38)70-59(51(74-57(66)42-30-16-5-17-31-42)49(47)72-55(64)40-26-12-3-13-27-40)76-48-46(37-69-54(63)39-24-10-2-11-25-39)71-60(77-44-34-20-7-21-35-44)52(75-58(67)43-32-18-6-19-33-43)50(48)73-56(65)41-28-14-4-15-29-41/h1-35,45-52,59-61H,36-37H2/t45-,46-,47+,48-,49+,50+,51-,52-,59+,60?/m1/s1
InChIKey CGDVWNBAMVDEEE-PRTBDKMMSA-N
Mol Weight 1059.1 g/mol
Molecular Formula C60H50O16S
Exact Mass 1058.281957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CPM2U2vAoaO
Name PHENYL-2,3,6-TRI-O-BENZOYL-BETA-D-GALACTOPYRANOSYL-(1->4)-2,3,6-TRI-O-BENZOYL-1-THIO-BETA-D-GLUCOPYRANOSIDE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H50O16S
InChI InChI=1S/C60H50O16S/c61-47-45(36-68-53(62)38-22-8-1-9-23-38)70-59(51(74-57(66)42-30-16-5-17-31-42)49(47)72-55(64)40-26-12-3-13-27-40)76-48-46(37-69-54(63)39-24-10-2-11-25-39)71-60(77-44-34-20-7-21-35-44)52(75-58(67)43-32-18-6-19-33-43)50(48)73-56(65)41-28-14-4-15-29-41/h1-35,45-52,59-61H,36-37H2/t45-,46-,47+,48-,49+,50+,51-,52-,59+,60?/m1/s1
InChIKey CGDVWNBAMVDEEE-PRTBDKMMSA-N
Literature Reference Author D.MUELLER,G.VIC,P.CRITCHLEY,D.H.G.CROUT,N.LEA,L.ROBERTS,J.M. LORD
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2287(1998)
Literature Reference DOI 10.1039/a801429i
Molecular Weight 1059.107 g/mol
Solvent CDCl3