John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=53vPMB19pPD SpectraBase Spectrum ID=BPZXxDpm8P0

(accessed ).
YNHBMTVZAGHWKF-YNHNFNCXSA-N
SpectraBase Compound ID 53vPMB19pPD
InChI InChI=1S/C18H36N4O9.4C2H4O2/c1-5-2-8(23)12(25)18(28-5)31-16-11(24)6(20)3-7(21)15(16)30-17-10(22)14(27)13(26)9(4-19)29-17;4*1-2(3)4/h5-18,23-27H,2-4,19-22H2,1H3;4*1H3,(H,3,4)/t5-,6-,7+,8+,9+,10+,11+,12-,13+,14+,15-,16?,17+,18+;;;;/m1..../s1
InChIKey YNHBMTVZAGHWKF-YNHNFNCXSA-N
Mol Weight 692.713 g/mol
Molecular Formula C26H52N4O17
Exact Mass 692.332747 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BPZXxDpm8P0
Name YNHBMTVZAGHWKF-YNHNFNCXSA-N
Compound Number TC017-ACETATE-SALT
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H52N4O17
InChI InChI=1S/C18H36N4O9.4C2H4O2/c1-5-2-8(23)12(25)18(28-5)31-16-11(24)6(20)3-7(21)15(16)30-17-10(22)14(27)13(26)9(4-19)29-17;4*1-2(3)4/h5-18,23-27H,2-4,19-22H2,1H3;4*1H3,(H,3,4)/t5-,6-,7+,8+,9+,10+,11+,12-,13+,14+,15-,16?,17+,18+;;;;/m1..../s1
InChIKey YNHBMTVZAGHWKF-YNHNFNCXSA-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 692.715 g/mol
Sample ID 37977
Solvent D2O
SpectraBase Batch ID I6UIrnr9W7m