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ALLYL-(3,4,6,TRI-O-ACETYL-2-DEOXY-2-PHTHALIMIDO-BETA-D-GALACTO-PYRANOSYL)-[(2,3,4-TRI-O-PARA-TOLUOYL-BETA-D-GLUCOPYRANOSYL-URONIC-ACID)]-4-O-ACET
SpectraBase Compound ID IByogsBhXv3
InChI InChI=1S/C69H66N2O26/c1-9-30-85-67-50(71-61(78)45-16-12-13-17-46(45)62(71)79)54(52(89-38(7)74)48(91-67)32-87-68-49(70-59(76)43-14-10-11-15-44(43)60(70)77)53(90-39(8)75)51(88-37(6)73)47(92-68)31-86-36(5)72)96-69-58(95-66(84)42-28-22-35(4)23-29-42)56(94-65(83)41-26-20-34(3)21-27-41)55(57(97-69)63(80)81)93-64(82)40-24-18-33(2)19-25-40/h9-29,47-58,67-69H,1,30-32H2,2-8H3,(H,80,81)/t47-,48+,49-,50+,51+,52-,53-,54+,55-,56-,57-,58+,67+,68-,69+/m0/s1
InChIKey MNTGMPBOBAMLTN-JWMZHENOSA-N
Mol Weight 1339.3 g/mol
Molecular Formula C69H66N2O26
Exact Mass 1338.39038 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID MMxVaC3Pnz
Name ALLYL-(3,4,6,TRI-O-ACETYL-2-DEOXY-2-PHTHALIMIDO-BETA-D-GALACTO-PYRANOSYL)-[(2,3,4-TRI-O-PARA-TOLUOYL-BETA-D-GLUCOPYRANOSYL-URONIC-ACID)]-4-O-ACET
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C69H66N2O26
InChI InChI=1S/C69H66N2O26/c1-9-30-85-67-50(71-61(78)45-16-12-13-17-46(45)62(71)79)54(52(89-38(7)74)48(91-67)32-87-68-49(70-59(76)43-14-10-11-15-44(43)60(70)77)53(90-39(8)75)51(88-37(6)73)47(92-68)31-86-36(5)72)96-69-58(95-66(84)42-28-22-35(4)23-29-42)56(94-65(83)41-26-20-34(3)21-27-41)55(57(97-69)63(80)81)93-64(82)40-24-18-33(2)19-25-40/h9-29,47-58,67-69H,1,30-32H2,2-8H3,(H,80,81)/t47-,48+,49-,50+,51+,52-,53-,54+,55-,56-,57-,58+,67+,68-,69+/m0/s1
InChIKey MNTGMPBOBAMLTN-JWMZHENOSA-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 1339.281 g/mol
Solvent CDCl3
Source File Reference UWMP307