John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3QFJ6jwlFJk SpectraBase Spectrum ID=K494J0gROHI

(accessed ).
WTHQIJFTSHACJH-UOTZVUHUSA-N
SpectraBase Compound ID 3QFJ6jwlFJk
InChI InChI=1S/C18H37N5O9.5C2H4O2/c1-4-8(22)12(26)14(28)18(29-4)32-16-10(24)5(20)2-6(21)15(16)31-17-9(23)13(27)11(25)7(3-19)30-17;5*1-2(3)4/h4-18,24-28H,2-3,19-23H2,1H3;5*1H3,(H,3,4)/t4-,5-,6+,7+,8-,9+,10+,11+,12+,13+,14-,15-,16-,17+,18+;;;;;/m1...../s1
InChIKey WTHQIJFTSHACJH-UOTZVUHUSA-N
Mol Weight 767.78 g/mol
Molecular Formula C28H57N5O19
Exact Mass 767.364775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K494J0gROHI
Name WTHQIJFTSHACJH-UOTZVUHUSA-N
Compound Number TC005-ACETATE-SALT
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H57N5O19
InChI InChI=1S/C18H37N5O9.5C2H4O2/c1-4-8(22)12(26)14(28)18(29-4)32-16-10(24)5(20)2-6(21)15(16)31-17-9(23)13(27)11(25)7(3-19)30-17;5*1-2(3)4/h4-18,24-28H,2-3,19-23H2,1H3;5*1H3,(H,3,4)/t4-,5-,6+,7+,8-,9+,10+,11+,12+,13+,14-,15-,16-,17+,18+;;;;;/m1...../s1
InChIKey WTHQIJFTSHACJH-UOTZVUHUSA-N
Literature Reference Author C.W.T.CHANG,Y.HUI,B.ELCHERT,J.WANG,J.LI,R.RAI
Literature Reference Citation ORG.LETTERS,4,4603(2002)
Literature Reference DOI 10.1021/ol0269042
Molecular Weight 767.783 g/mol
Sample ID 37972
Solvent D2O
SpectraBase Batch ID IhkTWGSrON0