John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=H1pjM9JeRmM SpectraBase Spectrum ID=FgkYEDu0x8H

(accessed ).
CTJJEYATWUGWHW-SUXNRVHTSA-N
SpectraBase Compound ID H1pjM9JeRmM
InChI InChI=1S/C18H37N5O10.5C2H4O2/c19-2-6-11(26)13(28)9(23)17(30-6)32-15-5(21)1-4(20)10(25)16(15)33-18-14(29)12(27)8(22)7(3-24)31-18;5*1-2(3)4/h4-18,24-29H,1-3,19-23H2;5*1H3,(H,3,4)/t4-,5+,6+,7-,8+,9+,10+,11+,12+,13+,14-,15-,16-,17+,18+;;;;;/m1...../s1
InChIKey CTJJEYATWUGWHW-SUXNRVHTSA-N
Mol Weight 783.779 g/mol
Molecular Formula C28H57N5O20
Exact Mass 783.35969 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FgkYEDu0x8H
Name CTJJEYATWUGWHW-SUXNRVHTSA-N
Compound Number TC018-ACETATE-SALT
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H57N5O20
InChI InChI=1S/C18H37N5O10.5C2H4O2/c19-2-6-11(26)13(28)9(23)17(30-6)32-15-5(21)1-4(20)10(25)16(15)33-18-14(29)12(27)8(22)7(3-24)31-18;5*1-2(3)4/h4-18,24-29H,1-3,19-23H2;5*1H3,(H,3,4)/t4-,5+,6+,7-,8+,9+,10+,11+,12+,13+,14-,15-,16-,17+,18+;;;;;/m1...../s1
InChIKey CTJJEYATWUGWHW-SUXNRVHTSA-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 783.782 g/mol
Sample ID 37978
Solvent D2O
SpectraBase Batch ID IBoKO9epDIo