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#49-DISODIUM-SALT;4-METHOXYPHENYL-O-(3-O-BENZYL-ALPHA-L-IDOPYRANOSYLURONIC-ACID)-(1->3)-O-(2-ACETAMIDO-2-DEOXY-4,6-DI-O-SULFO-BETA-D-GALACTOPYRANOSYL)-(1->4)-O

View entire compound with spectra: 1 NMR

#49-DISODIUM-SALT;4-METHOXYPHENYL-O-(3-O-BENZYL-ALPHA-L-IDOPYRANOSYLURONIC-ACID)-(1->3)-O-(2-ACETAMIDO-2-DEOXY-4,6-DI-O-SULFO-BETA-D-GALACTOPYRANOSYL)-(1->4)-O
SpectraBase Compound ID 6P4O209CROt
InChI InChI=1S/C49H62N2O36S4.2Na/c1-22(52)50-30-37(35(86-90(67,68)69)28(20-76-88(61,62)63)79-46(30)78-27-16-14-26(73-3)15-17-27)82-49-34(56)40(75-19-25-12-8-5-9-13-25)42(43(85-49)45(59)60)84-47-31(51-23(2)53)38(36(87-91(70,71)72)29(80-47)21-77-89(64,65)66)81-48-33(55)39(32(54)41(83-48)44(57)58)74-18-24-10-6-4-7-11-24;;/h4-17,28-43,46-49,54-56H,18-21H2,1-3H3,(H,50,52)(H,51,53)(H,57,58)(H,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72);;/q;2*+1/p-2/t28-,29+,30-,31+,32-,33+,34+,35+,36-,37-,38+,39-,40+,41+,42-,43-,46-,47-,48+,49+;;/m1../s1
InChIKey ZRNHECIACGVGEF-USXNBMFUSA-L
Mol Weight 1427.21653856 g/mol
Molecular Formula C49H60N2Na2O36S4
Exact Mass 1426.160399 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DzllXvoxhju
Name #49-DISODIUM-SALT;4-METHOXYPHENYL-O-(3-O-BENZYL-ALPHA-L-IDOPYRANOSYLURONIC-ACID)-(1->3)-O-(2-ACETAMIDO-2-DEOXY-4,6-DI-O-SULFO-BETA-D-GALACTOPYRANOSYL)-(1->4)-O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H60N2Na2O36S4
InChI InChI=1S/C49H62N2O36S4.2Na/c1-22(52)50-30-37(35(86-90(67,68)69)28(20-76-88(61,62)63)79-46(30)78-27-16-14-26(73-3)15-17-27)82-49-34(56)40(75-19-25-12-8-5-9-13-25)42(43(85-49)45(59)60)84-47-31(51-23(2)53)38(36(87-91(70,71)72)29(80-47)21-77-89(64,65)66)81-48-33(55)39(32(54)41(83-48)44(57)58)74-18-24-10-6-4-7-11-24;;/h4-17,28-43,46-49,54-56H,18-21H2,1-3H3,(H,50,52)(H,51,53)(H,57,58)(H,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72);;/q;2*+1/p-2/t28-,29+,30-,31+,32-,33+,34+,35+,36-,37-,38+,39-,40+,41+,42-,43-,46-,47-,48+,49+;;/m1../s1
InChIKey ZRNHECIACGVGEF-USXNBMFUSA-L
Literature Reference Author G.MACCHIONE,S.MAZA,M.M.KAYSER,J.L.DEPAZ,P.M.NIETO
Literature Reference Citation EUR.J.ORG.CHEM.,2014,3868(2014)
Literature Reference DOI 10.1002/ejoc.201402222
Molecular Weight 1427.227 g/mol
Solvent D2O
Source File Reference UWLU85346