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#5;(1S*,7S*,8S*)-[10-(3-PHENYLPROPYL)-6-OXA-10-AZATRICYCLO-[6.3.3.0(1,7)]-TETRADEC-3-EN-8-YL]-METHYL-2-(3-METHYL-2,5-DIOXOPYRROLIDIN-1-YL)-BENZOATE
SpectraBase Compound ID LUbPfTc2qlH
InChI InChI=1S/C34H40N2O5/c1-25-21-29(37)36(30(25)38)28-15-6-5-14-27(28)31(39)41-24-34-18-10-17-33(16-7-8-20-40-32(33)34)22-35(23-34)19-9-13-26-11-3-2-4-12-26/h2-8,11-12,14-15,25,32H,9-10,13,16-24H2,1H3/t25?,32-,33+,34-/m0/s1
InChIKey KPAYFSJHRVISFK-RYLQOEMNSA-N
Mol Weight 556.7 g/mol
Molecular Formula C34H40N2O5
Exact Mass 556.293722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F48wNwkM7B8
Name #5;(1S*,7S*,8S*)-[10-(3-PHENYLPROPYL)-6-OXA-10-AZATRICYCLO-[6.3.3.0(1,7)]-TETRADEC-3-EN-8-YL]-METHYL-2-(3-METHYL-2,5-DIOXOPYRROLIDIN-1-YL)-BENZOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H40N2O5
InChI InChI=1S/C34H40N2O5/c1-25-21-29(37)36(30(25)38)28-15-6-5-14-27(28)31(39)41-24-34-18-10-17-33(16-7-8-20-40-32(33)34)22-35(23-34)19-9-13-26-11-3-2-4-12-26/h2-8,11-12,14-15,25,32H,9-10,13,16-24H2,1H3/t25?,32-,33+,34-/m0/s1
InChIKey KPAYFSJHRVISFK-RYLQOEMNSA-N
Literature Reference Author A.LEHMANN,C.BROCKE,D.BARKER,M.A.BRIMBLE
Literature Reference Citation EUR.J.ORG.CHEM.,3205(2006)
Molecular Weight 556.702 g/mol
Sample ID 31807
Solvent CDCl3