John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3d9Q1iTUAHb SpectraBase Spectrum ID=29V13XkwRR5

(accessed ).
#9B;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 3d9Q1iTUAHb
InChI InChI=1S/C50H81N9O14/c1-4-6-8-10-12-14-16-18-20-22-43(63)70-33-37(71-44(64)23-21-19-17-15-13-11-9-7-5-2)24-41(62)51-26-35-28-56(54-52-35)31-39-38(61)25-42(72-39)57-27-34(3)48(68)58(50(57)69)29-36-30-59(55-53-36)49-47(67)46(66)45(65)40(32-60)73-49/h27-28,30,37-40,42,45-47,49,60-61,65-67H,4-26,29,31-33H2,1-3H3,(H,51,62)/t37-,38-,39+,40+,42+,45+,46-,47+,49+/m0/s1
InChIKey YPLPGAXBLJSVCN-JRUHFFJESA-N
Mol Weight 1032.2 g/mol
Molecular Formula C50H81N9O14
Exact Mass 1031.590299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29V13XkwRR5
Name #9B;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 © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H81N9O14
InChI InChI=1S/C50H81N9O14/c1-4-6-8-10-12-14-16-18-20-22-43(63)70-33-37(71-44(64)23-21-19-17-15-13-11-9-7-5-2)24-41(62)51-26-35-28-56(54-52-35)31-39-38(61)25-42(72-39)57-27-34(3)48(68)58(50(57)69)29-36-30-59(55-53-36)49-47(67)46(66)45(65)40(32-60)73-49/h27-28,30,37-40,42,45-47,49,60-61,65-67H,4-26,29,31-33H2,1-3H3,(H,51,62)/t37-,38-,39+,40+,42+,45+,46-,47+,49+/m0/s1
InChIKey YPLPGAXBLJSVCN-JRUHFFJESA-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 1032.245 g/mol
Solvent DMSO-D6
Source File Reference UWIR9592
SpectraBase Batch ID 2FyzXQm678k