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#9C;4-[1-[[(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3-[[1-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YL]-1H-1,2,3-TRIAZOL-4-Y
SpectraBase Compound ID Ezq4Q0ZZAzH
InChI InChI=1S/C42H65N9O14/c1-4-6-8-10-12-14-35(55)62-25-29(63-36(56)15-13-11-9-7-5-2)16-33(54)43-18-27-20-48(46-44-27)23-31-30(53)17-34(64-31)49-19-26(3)40(60)50(42(49)61)21-28-22-51(47-45-28)41-39(59)38(58)37(57)32(24-52)65-41/h19-20,22,29-32,34,37-39,41,52-53,57-59H,4-18,21,23-25H2,1-3H3,(H,43,54)/t29-,30-,31+,32+,34+,37+,38-,39+,41+/m0/s1
InChIKey HLAFYYAHVLKZLM-PBSDBEPISA-N
Mol Weight 920.0 g/mol
Molecular Formula C42H65N9O14
Exact Mass 919.465098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDydsbgABGh
Name #9C;4-[1-[[(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3-[[1-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YL]-1H-1,2,3-TRIAZOL-4-Y
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H65N9O14
InChI InChI=1S/C42H65N9O14/c1-4-6-8-10-12-14-35(55)62-25-29(63-36(56)15-13-11-9-7-5-2)16-33(54)43-18-27-20-48(46-44-27)23-31-30(53)17-34(64-31)49-19-26(3)40(60)50(42(49)61)21-28-22-51(47-45-28)41-39(59)38(58)37(57)32(24-52)65-41/h19-20,22,29-32,34,37-39,41,52-53,57-59H,4-18,21,23-25H2,1-3H3,(H,43,54)/t29-,30-,31+,32+,34+,37+,38-,39+,41+/m0/s1
InChIKey HLAFYYAHVLKZLM-PBSDBEPISA-N
Literature Reference Author L.LATXAGUE,A.PATWA,E.AMIGUES,P.BARTHELEMY
Literature Reference Citation MOLECULES,18,12241(2013)
Literature Reference DOI 10.3390/molecules181012241
Molecular Weight 920.030 g/mol
Solvent DMSO-D6
Source File Reference UWIR9593