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METHYL-4-O-(2-O-BENZOYL-3-O-BENZYL-4,6-O-BENZYLIDENE-BETA-D-GLUCOPYRANOSYL)-2,3,6-TRI-O-BENZYL-1-THIO-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID HilAFr5tODw
InChI InChI=1S/C55H56O11S/c1-67-55-51(60-35-41-26-14-5-15-27-41)49(59-34-40-24-12-4-13-25-40)46(44(63-55)36-57-32-38-20-8-2-9-21-38)66-54-50(64-52(56)42-28-16-6-17-29-42)48(58-33-39-22-10-3-11-23-39)47-45(62-54)37-61-53(65-47)43-30-18-7-19-31-43/h2-31,44-51,53-55H,32-37H2,1H3/t44-,45+,46-,47+,48-,49+,50+,51-,53+,54-,55+/m0/s1
InChIKey RSWZVLXLPHRRLF-TZCRMBKLSA-N
Mol Weight 925.1 g/mol
Molecular Formula C55H56O11S
Exact Mass 924.354334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CfmqCfypDPt
Name METHYL-4-O-(2-O-BENZOYL-3-O-BENZYL-4,6-O-BENZYLIDENE-BETA-D-GLUCOPYRANOSYL)-2,3,6-TRI-O-BENZYL-1-THIO-BETA-D-GLUCOPYRANOSIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H56O11S
InChI InChI=1S/C55H56O11S/c1-67-55-51(60-35-41-26-14-5-15-27-41)49(59-34-40-24-12-4-13-25-40)46(44(63-55)36-57-32-38-20-8-2-9-21-38)66-54-50(64-52(56)42-28-16-6-17-29-42)48(58-33-39-22-10-3-11-23-39)47-45(62-54)37-61-53(65-47)43-30-18-7-19-31-43/h2-31,44-51,53-55H,32-37H2,1H3/t44-,45+,46-,47+,48-,49+,50+,51-,53+,54-,55+/m0/s1
InChIKey RSWZVLXLPHRRLF-TZCRMBKLSA-N
Literature Reference Author M.NILSSON,T.NORBERG
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1699(1998)
Literature Reference DOI 10.1039/a709293h
Molecular Weight 925.103 g/mol
Solvent CDCl3
Source File Reference UWSI7321