John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=15VHTpNTnBC SpectraBase Spectrum ID=K1wksMmaJFJ

(accessed ).
7-ALPHA-(1-[R]-HYDROXY-1,2,2-TRIMETHYLPROPYL)-6,14-ENDO-ETHANO-6,7,8,14-TETRAHYDROTHEBAINE
SpectraBase Compound ID 15VHTpNTnBC
InChI InChI=1S/C27H39NO4/c1-23(2,3)24(4,29)18-15-25-10-11-27(18,31-7)22-26(25)12-13-28(5)19(25)14-16-8-9-17(30-6)21(32-22)20(16)26/h8-9,18-19,22,29H,10-15H2,1-7H3/t18?,19-,22+,24+,25-,26-,27+/m0/s1
InChIKey KNDFXYGKWIQXNP-QLZMQRLKSA-N
Mol Weight 441.6 g/mol
Molecular Formula C27H39NO4
Exact Mass 441.287909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K1wksMmaJFJ
Name 7-ALPHA-(1-[R]-HYDROXY-1,2,2-TRIMETHYLPROPYL)-6,14-ENDO-ETHANO-6,7,8,14-TETRAHYDROTHEBAINE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H39NO4
InChI InChI=1S/C27H39NO4/c1-23(2,3)24(4,29)18-15-25-10-11-27(18,31-7)22-26(25)12-13-28(5)19(25)14-16-8-9-17(30-6)21(32-22)20(16)26/h8-9,18-19,22,29H,10-15H2,1-7H3/t18?,19-,22+,24+,25-,26-,27+/m0/s1
InChIKey KNDFXYGKWIQXNP-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 441.611 g/mol
Solvent CDCl3
Source File Reference UWCS7235
SpectraBase Batch ID Gaod6SNdLUw