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METHYL-[4-ISOTHIOCYANATOPHENYL-5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-2-THIO-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID]-ONATE

View entire compound with spectra: 1 NMR

METHYL-[4-ISOTHIOCYANATOPHENYL-5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-2-THIO-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID]-ONATE
SpectraBase Compound ID DvyXSKsrznM
InChI InChI=1S/C27H32N2O12S2/c1-14(30)29-23-21(38-16(3)32)11-27(26(35)36-6,43-20-9-7-19(8-10-20)28-13-42)41-25(23)24(40-18(5)34)22(39-17(4)33)12-37-15(2)31/h7-10,21-25H,11-12H2,1-6H3,(H,29,30)/t21-,22-,23+,24-,25+,27-/m0/s1
InChIKey HMIIBTQIBMBZHI-CBPRURRPSA-N
Mol Weight 640.7 g/mol
Molecular Formula C27H32N2O12S2
Exact Mass 640.139667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JRCU7l7JKXb
Name METHYL-[4-ISOTHIOCYANATOPHENYL-5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-2-THIO-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID]-ONATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32N2O12S2
InChI InChI=1S/C27H32N2O12S2/c1-14(30)29-23-21(38-16(3)32)11-27(26(35)36-6,43-20-9-7-19(8-10-20)28-13-42)41-25(23)24(40-18(5)34)22(39-17(4)33)12-37-15(2)31/h7-10,21-25H,11-12H2,1-6H3,(H,29,30)/t21-,22-,23+,24-,25+,27-/m0/s1
InChIKey HMIIBTQIBMBZHI-CBPRURRPSA-N
Literature Reference Author D.ZANINI,R.ROY
Literature Reference Citation J.ORG.CHEM.,63,3486(1998)
Literature Reference DOI 10.1021/jo972061u
Molecular Weight 640.677 g/mol
Sample ID 37369
Solvent CDCl3