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TRIS-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYLOXYMETHYL)-METHYL-ISOTHIOCYANATE
SpectraBase Compound ID ImABnWyriKe
InChI InChI=1S/C47H63NO30S/c1-20(49)61-13-32-35(67-23(4)52)38(70-26(7)55)41(73-29(10)58)44(76-32)64-16-47(48-19-79,17-65-45-42(74-30(11)59)39(71-27(8)56)36(68-24(5)53)33(77-45)14-62-21(2)50)18-66-46-43(75-31(12)60)40(72-28(9)57)37(69-25(6)54)34(78-46)15-63-22(3)51/h32-46H,13-18H2,1-12H3/t32-,33-,34-,35-,36-,37-,38+,39+,40+,41+,42+,43+,44+,45+,46+/m1/s1
InChIKey CKWKOFKMDDJMLC-OFWXWVAWSA-N
Mol Weight 1154.1 g/mol
Molecular Formula C47H63NO30S
Exact Mass 1153.315561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BkioUk8RVp
Name TRIS-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYLOXYMETHYL)-METHYL-ISOTHIOCYANATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H63NO30S
InChI InChI=1S/C47H63NO30S/c1-20(49)61-13-32-35(67-23(4)52)38(70-26(7)55)41(73-29(10)58)44(76-32)64-16-47(48-19-79,17-65-45-42(74-30(11)59)39(71-27(8)56)36(68-24(5)53)33(77-45)14-62-21(2)50)18-66-46-43(75-31(12)60)40(72-28(9)57)37(69-25(6)54)34(78-46)15-63-22(3)51/h32-46H,13-18H2,1-12H3/t32-,33-,34-,35-,36-,37-,38+,39+,40+,41+,42+,43+,44+,45+,46+/m1/s1
InChIKey CKWKOFKMDDJMLC-OFWXWVAWSA-N
Literature Reference Author J.M.BENITO,M.GOMEZ-GARCIA,C.O.MELLET,I.BAUSSANNE,J.DEFAYE,J. M.G.FERNANDEZ
Literature Reference Citation J.AM.CHEM.SOC.,126,10355(2004)
Literature Reference DOI 10.1021/ja047864v
Molecular Weight 1154.066 g/mol
Sample ID 27875
Solvent CDCl3