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3,4,6-TRI-O-ACETYL-2-DEOXY-2-TRICHLOROACETAMIDO-D-GLUCOPYRANOSYL-BETA-(1->3)-1,4,5,6-TETRA-O-BENZOYL-D-CHIRO-INOSITOL
SpectraBase Compound ID Da5jgRup0Vw
InChI InChI=1S/C48H44Cl3NO18/c1-25(53)62-24-32-35(63-26(2)54)36(64-27(3)55)33(52-47(61)48(49,50)51)46(65-32)70-38-34(56)37(66-42(57)28-16-8-4-9-17-28)39(67-43(58)29-18-10-5-11-19-29)41(69-45(60)31-22-14-7-15-23-31)40(38)68-44(59)30-20-12-6-13-21-30/h4-23,32-41,46,56H,24H2,1-3H3,(H,52,61)/t32-,33-,34+,35-,36-,37-,38-,39+,40-,41-,46+/m0/s1
InChIKey WEKLULDWTBZBKP-YGYUVNKXSA-N
Mol Weight 1029.2 g/mol
Molecular Formula C48H44Cl3NO18
Exact Mass 1027.162397 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 31zO1akE2XO
Name 3,4,6-TRI-O-ACETYL-2-DEOXY-2-TRICHLOROACETAMIDO-D-GLUCOPYRANOSYL-BETA-(1->3)-1,4,5,6-TETRA-O-BENZOYL-D-CHIRO-INOSITOL
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H44Cl3NO18
InChI InChI=1S/C48H44Cl3NO18/c1-25(53)62-24-32-35(63-26(2)54)36(64-27(3)55)33(52-47(61)48(49,50)51)46(65-32)70-38-34(56)37(66-42(57)28-16-8-4-9-17-28)39(67-43(58)29-18-10-5-11-19-29)41(69-45(60)31-22-14-7-15-23-31)40(38)68-44(59)30-20-12-6-13-21-30/h4-23,32-41,46,56H,24H2,1-3H3,(H,52,61)/t32-,33-,34+,35-,36-,37-,38-,39+,40-,41-,46+/m0/s1
InChIKey WEKLULDWTBZBKP-YGYUVNKXSA-N
Literature Reference Author M.B.CID,I.ALONSO,F.ALFONSO,J.B.BONILLA.J.LOPEZ-PRADOS,M.MART IN-LOMAS
Literature Reference Citation EUR.J.ORG.CHEM.,3947(2006)
Molecular Weight 1029.232 g/mol
Sample ID 44631
Solvent CDCl3