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N-Cyano-7b-[1-(R)-hydroxy-1,2,2-trimethyl-propyl]-6,14-endo-ethano-tetrahydro-thebaine

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N-Cyano-7b-[1-(R)-hydroxy-1,2,2-trimethyl-propyl]-6,14-endo-ethano-tetrahydro-thebaine
SpectraBase Compound ID 6E5FicCTPX1
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+/m1/s1
InChIKey BNIUSDKOHBJDSD-VNCDRGSXSA-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 AzCYp6LavyN
Name N-Cyano-7b-[1-(R)-hydroxy-1,2,2-trimethyl-propyl]-6,14-endo-ethano-tetrahydro-thebaine
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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+/m1/s1
InChIKey BNIUSDKOHBJDSD-VNCDRGSXSA-N
Instrument Name Bruker WP-80
Literature Reference B.C. Uff, A.S. Mallard, J.A. Davis, R.Henson, Magn. Res. Chem. 23, 454 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3