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(1S*,7S*,8S*)-[10-(3-PHENYLPROPYL)-6-OXA-10-AZATRICYCLO-[6.3.3.0(1,7)]-TETRADEC-3-EN-8-YL]-METHYL-2-AMINOBENZOATE
SpectraBase Compound ID 4oGkNOBO71l
InChI InChI=1S/C29H36N2O3/c30-25-14-5-4-13-24(25)26(32)34-22-29-17-9-16-28(15-6-7-19-33-27(28)29)20-31(21-29)18-8-12-23-10-2-1-3-11-23/h1-7,10-11,13-14,27H,8-9,12,15-22,30H2/t27-,28+,29-/m0/s1
InChIKey ONFLDUUDFCYDOM-NHKHRBQYSA-N
Mol Weight 460.6 g/mol
Molecular Formula C29H36N2O3
Exact Mass 460.272593 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DUzgcJ3k7cT
Name (1S*,7S*,8S*)-[10-(3-PHENYLPROPYL)-6-OXA-10-AZATRICYCLO-[6.3.3.0(1,7)]-TETRADEC-3-EN-8-YL]-METHYL-2-AMINOBENZOATE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36N2O3
InChI InChI=1S/C29H36N2O3/c30-25-14-5-4-13-24(25)26(32)34-22-29-17-9-16-28(15-6-7-19-33-27(28)29)20-31(21-29)18-8-12-23-10-2-1-3-11-23/h1-7,10-11,13-14,27H,8-9,12,15-22,30H2/t27-,28+,29-/m0/s1
InChIKey ONFLDUUDFCYDOM-NHKHRBQYSA-N
Literature Reference Author A.LEHMANN,C.BROCKE,D.BARKER,M.A.BRIMBLE
Literature Reference Citation EUR.J.ORG.CHEM.,3205(2006)
Molecular Weight 460.616 g/mol
Sample ID 31806
Solvent CDCl3