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N-Cyano-7a-[1-(S)-hydroxy-1,2,2-trimethyl-propyl]-6,14-endo-ethano-6,7,8,14-tetrahydro-northebaine
SpectraBase Compound ID 8CnmanTzcyD
InChI InChI=1S/C27H36N2O4/c1-23(2,3)24(4,30)18-14-25-9-10-27(18,32-6)22-26(25)11-12-29(15-28)19(25)13-16-7-8-17(31-5)21(33-22)20(16)26/h7-8,18-19,22,30H,9-14H2,1-6H3/t18?,19-,22+,24+,25-,26-,27+/m0/s1
InChIKey BNIUSDKOHBJDSD-QLZMQRLKSA-N
Mol Weight 452.6 g/mol
Molecular Formula C27H36N2O4
Exact Mass 452.267508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CTkLwAeNrM0
Name N-CYANO-7-ALPHA-(1-[S]-HYDROXY-1,2,2-TRIMETHYLPROPYL)-6,14-ENDO-ETHANO-6,7,8,14-TETRAHYDRONORTHEBAINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H36N2O4
InChI InChI=1S/C27H36N2O4/c1-23(2,3)24(4,30)18-14-25-9-10-27(18,32-6)22-26(25)11-12-29(15-28)19(25)13-16-7-8-17(31-5)21(33-22)20(16)26/h7-8,18-19,22,30H,9-14H2,1-6H3/t18?,19-,22+,24+,25-,26-,27+/m0/s1
InChIKey BNIUSDKOHBJDSD-QLZMQRLKSA-N
Literature Reference Author B.C.UFF,A.S.MALLARD,J.A.DAVIS,R.HENSON
Literature Reference Citation MAGN.RES.CHEM.,23,454(1985)
Literature Reference DOI 10.1002/mrc.1260230610
Molecular Weight 452.594 g/mol
Solvent CDCl3
Source File Reference UWCS7239