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2-(2,3,6-TRI-O-ACETYL-4-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL)-ETHYL_METHANETHIOSULFONATE

View entire compound with spectra: 1 NMR

2-(2,3,6-TRI-O-ACETYL-4-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL)-ETHYL_METHANETHIOSULFONATE
SpectraBase Compound ID Aq1WYCY2m6G
InChI InChI=1S/C29H42O20S2/c1-13(30)40-11-20-22(42-15(3)32)24(43-16(4)33)27(46-19(7)36)29(48-20)49-23-21(12-41-14(2)31)47-28(39-9-10-50-51(8,37)38)26(45-18(6)35)25(23)44-17(5)34/h20-29H,9-12H2,1-8H3/t20-,21-,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1
InChIKey KVUFOODXIGLMFT-IEXBOCDTSA-N
Mol Weight 774.8 g/mol
Molecular Formula C29H42O20S2
Exact Mass 774.171086 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KV687K5tlKI
Name 2-(2,3,6-TRI-O-ACETYL-4-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL)-ETHYL_METHANETHIOSULFONATE
Compound Number 1K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H42O20S2
InChI InChI=1S/C29H42O20S2/c1-13(30)40-11-20-22(42-15(3)32)24(43-16(4)33)27(46-19(7)36)29(48-20)49-23-21(12-41-14(2)31)47-28(39-9-10-50-51(8,37)38)26(45-18(6)35)25(23)44-17(5)34/h20-29H,9-12H2,1-8H3/t20-,21-,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1
InChIKey KVUFOODXIGLMFT-IEXBOCDTSA-N
Literature Reference Author B.G.DAVIS,R.C.LLOYD,J.B.JONES
Literature Reference Citation J.ORG.CHEM.,63,9614(1998)
Literature Reference DOI 10.1021/jo9816461
Molecular Weight 774.760 g/mol
Sample ID 26681
Solvent CDCl3