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PROPYL-2-S-(2',3',4',6'-TETRA-O-ACETYL-5'-THIO-ALPHA-D-GLUCOPYRANOSYL)-3,4,6-TRI-O-BENZOYL-2-THIO-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID H2ofgFnaphL
InChI InChI=1S/C44H48O16S2/c1-6-22-52-43-39(62-44-38(57-28(5)48)36(56-27(4)47)35(55-26(3)46)33(61-44)24-53-25(2)45)37(60-42(51)31-20-14-9-15-21-31)34(59-41(50)30-18-12-8-13-19-30)32(58-43)23-54-40(49)29-16-10-7-11-17-29/h7-21,32-39,43-44H,6,22-24H2,1-5H3/t32-,33+,34-,35+,36-,37+,38+,39-,43-,44+/m1/s1
InChIKey DNUUXZXDWQEOSP-VDSLZACSSA-N
Mol Weight 897.0 g/mol
Molecular Formula C44H48O16S2
Exact Mass 896.238378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GtmZ1VYhdn9
Name PROPYL-2-S-(2',3',4',6'-TETRA-O-ACETYL-5'-THIO-ALPHA-D-GLUCOPYRANOSYL)-3,4,6-TRI-O-BENZOYL-2-THIO-BETA-D-GLUCOPYRANOSIDE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H48O16S2
InChI InChI=1S/C44H48O16S2/c1-6-22-52-43-39(62-44-38(57-28(5)48)36(56-27(4)47)35(55-26(3)46)33(61-44)24-53-25(2)45)37(60-42(51)31-20-14-9-15-21-31)34(59-41(50)30-18-12-8-13-19-30)32(58-43)23-54-40(49)29-16-10-7-11-17-29/h7-21,32-39,43-44H,6,22-24H2,1-5H3/t32-,33+,34-,35+,36-,37+,38+,39-,43-,44+/m1/s1
InChIKey DNUUXZXDWQEOSP-VDSLZACSSA-N
Literature Reference Author J.S.ANDREWS,B.D.JOHNSTON,B.M.PINTO
Literature Reference Citation CARBOHYDR.RES.,310,27(1998)
Literature Reference DOI 10.1016/S0008-6215(98)00165-7
Molecular Weight 896.976 g/mol
Solvent CDCl3
Source File Reference UWRU5225