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PHENYL-2,3,4-TRI-O-BENZOYL-6-O-(2,3,4,6-TETRA-O-BENZOYL-alpha-D-MANNOPYRANOSYL)-1-THIO-alpha-D-MANNOPYRANOSIDE
SpectraBase Compound ID G0O0RYK7TkK
InChI InChI=1S/C67H54O17S/c68-59(43-25-9-1-10-26-43)75-41-51-53(79-60(69)44-27-11-2-12-28-44)55(81-62(71)46-31-15-4-16-32-46)57(83-64(73)48-35-19-6-20-36-48)66(77-51)76-42-52-54(80-61(70)45-29-13-3-14-30-45)56(82-63(72)47-33-17-5-18-34-47)58(84-65(74)49-37-21-7-22-38-49)67(78-52)85-50-39-23-8-24-40-50/h1-40,51-58,66-67H,41-42H2/t51-,52+,53-,54+,55+,56-,57+,58-,66+,67+/m0/s1
InChIKey RLRQYCJHVNSYQM-XUQXMUJOSA-N
Mol Weight 1163.2 g/mol
Molecular Formula C67H54O17S
Exact Mass 1162.308171 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ja1Fp46NoLo
Name PHENYL-2,3,4-TRI-O-BENZOYL-6-O-(2,3,4,6-TETRA-O-BENZOYL-alpha-D-MANNOPYRANOSYL)-1-THIO-alpha-D-MANNOPYRANOSIDE
Compound Number 31
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C67H54O17S/c68-59(43-25-9-1-10-26-43)75-41-51-53(79-60(69)44-27-11-2-12-28-44)55(81-62(71)46-31-15-4-16-32-46)57(83-64(73)48-35-19-6-20-36-48)66(77-51)76-42-52-54(80-61(70)45-29-13-3-14-30-45)56(82-63(72)47-33-17-5-18-34-47)58(84-65(74)49-37-21-7-22-38-49)67(78-52)85-50-39-23-8-24-40-50/h1-40,51-58,66-67H,41-42H2/t51-,52+,53-,54+,55+,56-,57+,58-,66+,67+/m0/s1
InChIKey RLRQYCJHVNSYQM-XUQXMUJOSA-N
Literature Reference H.FRANZYK,M.MELDAL,H.PAULSEN,K.BOCK J.CHEM.SOC.PERKIN-1,2883(1995)
Solvent Chloroform-d