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PHENYL-2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL-(1->6)-2,3,4-TRI-O-BENZOYL-1-THIO-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID Ii9fReCEPtV
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-SJKWLVDMSA-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 AhZMy8XufhZ
Name PHENYL-2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL-(1->6)-2,3,4-TRI-O-BENZOYL-1-THIO-BETA-D-GLUCOPYRANOSIDE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C67H54O17S
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-SJKWLVDMSA-N
Literature Reference Author A.MAGGI,R.MADSEN
Literature Reference Citation EUR.J.ORG.CHEM.,2013,2683(2013)
Literature Reference DOI 10.1002/ejoc.201300026
Molecular Weight 1163.216 g/mol
Solvent CDCl3
Source File Reference UWBT18531