John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Ijyt9vr91YV SpectraBase Spectrum ID=3Y3ZSKSpSHU

(accessed ).
JBXJITCUSALGNI-YBGNHLITSA-N
SpectraBase Compound ID Ijyt9vr91YV
InChI InChI=1S/C18H38N6O9.6C2H4O2/c19-2-6-11(26)8(23)14(29)18(31-6)33-16-10(25)4(21)1-5(22)15(16)32-17-9(24)13(28)12(27)7(3-20)30-17;6*1-2(3)4/h4-18,25-29H,1-3,19-24H2;6*1H3,(H,3,4)/t4-,5+,6-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16-,17+,18+;;;;;;/m1....../s1
InChIKey JBXJITCUSALGNI-YBGNHLITSA-N
Mol Weight 842.847 g/mol
Molecular Formula C30H62N6O21
Exact Mass 842.396804 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Y3ZSKSpSHU
Name JBXJITCUSALGNI-YBGNHLITSA-N
Compound Number TC016-ACETATE-SALT
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H62N6O21
InChI InChI=1S/C18H38N6O9.6C2H4O2/c19-2-6-11(26)8(23)14(29)18(31-6)33-16-10(25)4(21)1-5(22)15(16)32-17-9(24)13(28)12(27)7(3-20)30-17;6*1-2(3)4/h4-18,25-29H,1-3,19-24H2;6*1H3,(H,3,4)/t4-,5+,6-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16-,17+,18+;;;;;;/m1....../s1
InChIKey JBXJITCUSALGNI-YBGNHLITSA-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 842.850 g/mol
Sample ID 37976
Solvent D2O
SpectraBase Batch ID IMSNQrGAbes