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ALLYL-(2,3,4-TRI-O-PARA-TOLUOYL-BETA-D-GLUCOPYRANOSYL-URONIC-ACID)-(1->3)-4,6-DI-O-ACETYL-2-DEOXY-2-PHTHALIMIDO-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID JgI56yYmoaI
InChI InChI=1S/C51H49NO18/c1-7-24-62-50-37(52-44(55)34-10-8-9-11-35(34)45(52)56)39(38(64-30(6)54)36(65-50)25-63-29(5)53)69-51-43(68-49(61)33-22-16-28(4)17-23-33)41(67-48(60)32-20-14-27(3)15-21-32)40(42(70-51)46(57)58)66-47(59)31-18-12-26(2)13-19-31/h7-23,36-43,50-51H,1,24-25H2,2-6H3,(H,57,58)/t36-,37-,38+,39-,40+,41+,42+,43-,50-,51-/m1/s1
InChIKey LXROPCRTKXDOAO-FFRBITQTSA-N
Mol Weight 963.9 g/mol
Molecular Formula C51H49NO18
Exact Mass 963.294964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Takyul99NW
Name ALLYL-(2,3,4-TRI-O-PARA-TOLUOYL-BETA-D-GLUCOPYRANOSYL-URONIC-ACID)-(1->3)-4,6-DI-O-ACETYL-2-DEOXY-2-PHTHALIMIDO-BETA-D-GALACTOPYRANOSIDE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H49NO18
InChI InChI=1S/C51H49NO18/c1-7-24-62-50-37(52-44(55)34-10-8-9-11-35(34)45(52)56)39(38(64-30(6)54)36(65-50)25-63-29(5)53)69-51-43(68-49(61)33-22-16-28(4)17-23-33)41(67-48(60)32-20-14-27(3)15-21-32)40(42(70-51)46(57)58)66-47(59)31-18-12-26(2)13-19-31/h7-23,36-43,50-51H,1,24-25H2,2-6H3,(H,57,58)/t36-,37-,38+,39-,40+,41+,42+,43-,50-,51-/m1/s1
InChIKey LXROPCRTKXDOAO-FFRBITQTSA-N
Literature Reference Author K.M.HALKES,H.J.VERMEER,T.M.SLAGHEK,P.A.V.VANHOOFT,A.LOOF,J.P .KAMERLING,J.F.G.VLI
Literature Reference Citation CARBOHYDR.RES.,309,175(1998)
Literature Reference DOI 10.1016/S0008-6215(98)00125-6
Molecular Weight 963.946 g/mol
Solvent CDCl3
Source File Reference UWMP318