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1,6-ANHYDRO-3-S-(2,3,4,6-TETRA-O-ACETYL-BETA-GLUCOPYRANOSYL)-BETA-D-GLYCERO-HEXOPYRANOS-4-ULOSE
SpectraBase Compound ID Knj3KBe8kdp
InChI InChI=1S/C22H28O14S/c1-8(23)29-6-13-16(31-9(2)24)18(33-11(4)26)19(34-12(5)27)22(36-13)37-20-15(28)21-30-7-14(35-21)17(20)32-10(3)25/h13-14,16-22H,6-7H2,1-5H3/t13-,14-,16-,17-,18+,19-,20-,21-,22+/m1/s1
InChIKey DQDUVTBUAPSYII-NLNPWYPASA-N
Mol Weight 548.51 g/mol
Molecular Formula C22H28O14S
Exact Mass 548.119977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LXcjjavp3Wd
Name 1,6-ANHYDRO-3-S-(2,3,4,6-TETRA-O-ACETYL-BETA-GLUCOPYRANOSYL)-BETA-D-GLYCERO-HEXOPYRANOS-4-ULOSE
CAS Registry Number 448217-82-1
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O14S
InChI InChI=1S/C22H28O14S/c1-8(23)29-6-13-16(31-9(2)24)18(33-11(4)26)19(34-12(5)27)22(36-13)37-20-15(28)21-30-7-14(35-21)17(20)32-10(3)25/h13-14,16-22H,6-7H2,1-5H3/t13-,14-,16-,17-,18+,19-,20-,21-,22+/m1/s1
InChIKey DQDUVTBUAPSYII-NLNPWYPASA-N
Literature Reference Author Z.J.WITCZAK,P.KAPLON,M.KOLODZIEJ
Literature Reference Citation MH.CHEM.,133,521(2002)
Literature Reference DOI 10.1007/s007060200025
Molecular Weight 548.516 g/mol
Solvent CDCl3
Source File Reference UWKP11476