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4-METHYLPHENYL-(6-O-ACETYL-4-O-BENZYL-3-O-(2-CHLORO)-ACETYL-2-O-ISOPROPYL)-1-THIO-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID Gz6oNytwNIE
InChI InChI=1S/C27H33ClO7S/c1-17(2)33-26-25(35-23(30)14-28)24(32-15-20-8-6-5-7-9-20)22(16-31-19(4)29)34-27(26)36-21-12-10-18(3)11-13-21/h5-13,17,22,24-27H,14-16H2,1-4H3/t22-,24-,25+,26-,27+/m1/s1
InChIKey YGRLDMFJSDLXJQ-INFWBLCHSA-N
Mol Weight 537.1 g/mol
Molecular Formula C27H33ClO7S
Exact Mass 536.163552 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KHXbns0jOjw
Name 4-METHYLPHENYL-(6-O-ACETYL-4-O-BENZYL-3-O-(2-CHLORO)-ACETYL-2-O-ISOPROPYL)-1-THIO-BETA-D-GLUCOPYRANOSIDE
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H33ClO7S
InChI InChI=1S/C27H33ClO7S/c1-17(2)33-26-25(35-23(30)14-28)24(32-15-20-8-6-5-7-9-20)22(16-31-19(4)29)34-27(26)36-21-12-10-18(3)11-13-21/h5-13,17,22,24-27H,14-16H2,1-4H3/t22-,24-,25+,26-,27+/m1/s1
InChIKey YGRLDMFJSDLXJQ-INFWBLCHSA-N
Literature Reference Author C.T.CHEN,S.S.WENG,J.Q.KAO,C.C.LIN,M.D.JAN
Literature Reference Citation ORG.LETTERS,7,3343(2005)
Literature Reference DOI 10.1021/ol051178z
Molecular Weight 537.068 g/mol
Sample ID 57653
Solvent CDCl3