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9-O-(Octanoyl)-iso-Aaptamine

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9-O-(Octanoyl)-iso-Aaptamine
SpectraBase Compound ID IDkwTC3ug0u
InChI InChI=1S/C21H26N2O3/c1-4-5-6-7-8-9-18(24)26-21-17(25-3)14-15-10-12-22-16-11-13-23(2)20(21)19(15)16/h10-14H,4-9H2,1-3H3
InChIKey SXLMUAUALAVVAS-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C21H26N2O3
Exact Mass 354.194343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DXXNzJEELRv
Name 9-O-OCTANOYLISOAAPTAMINE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26N2O3
InChI InChI=1S/C21H26N2O3/c1-4-5-6-7-8-9-18(24)26-21-17(25-3)14-15-10-12-22-16-11-13-23(2)20(21)19(15)16/h10-14H,4-9H2,1-3H3
InChIKey SXLMUAUALAVVAS-UHFFFAOYSA-N
Literature Reference Author Y.C.SHEN,T.T.LIN,J.H.SHEU,C.Y.DUH
Literature Reference Citation J.NAT.PROD.,62,1264(1999)
Literature Reference DOI 10.1021/np990156g
Molecular Weight 354.449 g/mol
Solvent CDCl3