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ETHYL-(1R*,5S*,9R*)-5-(3-BUTENYL)-9-HYDROXY-3-(3-PHENYLPROPYL)-9-(2-PROPENYL)-3-AZABICYCLO-[3.3.1]-NONANE-1-CARBOXYLATE
SpectraBase Compound ID 7cbTE2vhv2T
InChI InChI=1S/C27H39NO3/c1-4-7-17-25-18-12-19-26(24(29)31-6-3,27(25,30)16-5-2)22-28(21-25)20-11-15-23-13-9-8-10-14-23/h4-5,8-10,13-14,30H,1-2,6-7,11-12,15-22H2,3H3/t25-,26+,27-/m1/s1
InChIKey YCAVCHRTASJDPX-KWXIBIRDSA-N
Mol Weight 425.6 g/mol
Molecular Formula C27H39NO3
Exact Mass 425.292994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9OFvjFXUu7W
Name ETHYL-(1R*,5S*,9R*)-5-(3-BUTENYL)-9-HYDROXY-3-(3-PHENYLPROPYL)-9-(2-PROPENYL)-3-AZABICYCLO-[3.3.1]-NONANE-1-CARBOXYLATE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H39NO3
InChI InChI=1S/C27H39NO3/c1-4-7-17-25-18-12-19-26(24(29)31-6-3,27(25,30)16-5-2)22-28(21-25)20-11-15-23-13-9-8-10-14-23/h4-5,8-10,13-14,30H,1-2,6-7,11-12,15-22H2,3H3/t25-,26+,27-/m1/s1
InChIKey YCAVCHRTASJDPX-KWXIBIRDSA-N
Literature Reference Author A.LEHMANN,C.BROCKE,D.BARKER,M.A.BRIMBLE
Literature Reference Citation EUR.J.ORG.CHEM.,3205(2006)
Molecular Weight 425.612 g/mol
Sample ID 31809
Solvent CDCl3