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PHENYL-2,3,4,6-TETRA-O-BENZOYL-BETA-D-GALACTOPYRANOSYL-(1->6)-1-THIO-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID BQGIPA3jmsE
InChI InChI=1S/C46H42O14S/c47-35-33(57-46(37(49)36(35)48)61-32-24-14-5-15-25-32)26-55-45-40(60-44(53)31-22-12-4-13-23-31)39(59-43(52)30-20-10-3-11-21-30)38(58-42(51)29-18-8-2-9-19-29)34(56-45)27-54-41(50)28-16-6-1-7-17-28/h1-25,33-40,45-49H,26-27H2/t33-,34+,35-,36+,37-,38-,39-,40+,45+,46+/m0/s1
InChIKey VWJSXKMZXQZMCA-TWVQXNCXSA-N
Mol Weight 850.9 g/mol
Molecular Formula C46H42O14S
Exact Mass 850.229527 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWCKAqoTFhw
Name PHENYL-2,3,4,6-TETRA-O-BENZOYL-BETA-D-GALACTOPYRANOSYL-(1->6)-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 C46H42O14S
InChI InChI=1S/C46H42O14S/c47-35-33(57-46(37(49)36(35)48)61-32-24-14-5-15-25-32)26-55-45-40(60-44(53)31-22-12-4-13-23-31)39(59-43(52)30-20-10-3-11-21-30)38(58-42(51)29-18-8-2-9-19-29)34(56-45)27-54-41(50)28-16-6-1-7-17-28/h1-25,33-40,45-49H,26-27H2/t33-,34+,35-,36+,37-,38-,39-,40+,45+,46+/m0/s1
InChIKey VWJSXKMZXQZMCA-TWVQXNCXSA-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 850.891 g/mol
Solvent CDCl3
Source File Reference UWBT18521