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CYCLO-(COP-COA-COA)
SpectraBase Compound ID IjKfbSaPZkW
InChI InChI=1S/C31H45N3O6/c35-29-19-39-26-16-8-5-13-23(26)34-31(37)28(18-21-10-2-1-3-11-21)40-27-17-9-6-14-24(27)33-30(36)20-38-25-15-7-4-12-22(25)32-29/h1-3,10-11,22-28H,4-9,12-20H2,(H,32,35)(H,33,36)(H,34,37)/t22-,23-,24-,25-,26-,27-,28+/m0/s1
InChIKey PVUQPAOTFGSTRV-NHUCAYLPSA-N
Mol Weight 555.7 g/mol
Molecular Formula C31H45N3O6
Exact Mass 555.330836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHKb7AUvz4d
Name CYCLO-(COP-COA-COA)
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H45N3O6
InChI InChI=1S/C31H45N3O6/c35-29-19-39-26-16-8-5-13-23(26)34-31(37)28(18-21-10-2-1-3-11-21)40-27-17-9-6-14-24(27)33-30(36)20-38-25-15-7-4-12-22(25)32-29/h1-3,10-11,22-28H,4-9,12-20H2,(H,32,35)(H,33,36)(H,34,37)/t22-,23-,24-,25-,26-,27-,28+/m0/s1
InChIKey PVUQPAOTFGSTRV-NHUCAYLPSA-N
Literature Reference Author H.D.ARNDT,B.ZIEMER,U.KOERT
Literature Reference Citation ORG.LETTERS,6,3269(2004)
Literature Reference DOI 10.1021/ol048861q
Molecular Weight 555.715 g/mol
Sample ID 50938
Solvent ACETONE-D6