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(Z,Z)-2,3,4,6-TETRA-O-PIVALOYL-D-GLUCONO-1,5-LACTONE-AZINE
SpectraBase Compound ID ErLZYgeSH1h
InChI InChI=1S/C52H84N2O18/c1-45(2,3)37(55)63-25-27-29(67-39(57)47(7,8)9)31(69-41(59)49(13,14)15)33(71-43(61)51(19,20)21)35(65-27)53-54-36-34(72-44(62)52(22,23)24)32(70-42(60)50(16,17)18)30(68-40(58)48(10,11)12)28(66-36)26-64-38(56)46(4,5)6/h27-34H,25-26H2,1-24H3/b53-35-,54-36-/t27-,28-,29-,30-,31+,32+,33-,34-/m1/s1
InChIKey PUMYRNFQIBXWIK-LCQWAQOASA-N
Mol Weight 1025.2 g/mol
Molecular Formula C52H84N2O18
Exact Mass 1024.571914 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5aPhVVirSJ6
Name (Z,Z)-2,3,4,6-TETRA-O-PIVALOYL-D-GLUCONO-1,5-LACTONE-AZINE
Compound Number 60
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H84N2O18
InChI InChI=1S/C52H84N2O18/c1-45(2,3)37(55)63-25-27-29(67-39(57)47(7,8)9)31(69-41(59)49(13,14)15)33(71-43(61)51(19,20)21)35(65-27)53-54-36-34(72-44(62)52(22,23)24)32(70-42(60)50(16,17)18)30(68-40(58)48(10,11)12)28(66-36)26-64-38(56)46(4,5)6/h27-34H,25-26H2,1-24H3/b53-35-,54-36-/t27-,28-,29-,30-,31+,32+,33-,34-/m1/s1
InChIKey PUMYRNFQIBXWIK-LCQWAQOASA-N
Literature Reference Author A.VASELLA,C.WITZIG,C.WALDRAFF,P.UHLMANN,K.BRINER,B.BERNET,L. PANZA,R.HUSI
Literature Reference Citation HELV.CHIM.ACTA,76,2847(1993)
Literature Reference DOI 10.1002/hlca.19930760811
Molecular Weight 1025.242 g/mol
Solvent C6D6
Source File Reference UWCS16312