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METHYL-4(E)-ETHYLIDENE-2-[2-(PHENYLSULFINYL)-ETHYL]-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-BETA-CARBOXYLATE;MAJOR-ISOMER

View entire compound with spectra: 1 NMR

METHYL-4(E)-ETHYLIDENE-2-[2-(PHENYLSULFINYL)-ETHYL]-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-BETA-CARBOXYLATE;MAJOR-ISOMER
SpectraBase Compound ID 6qRyLNPjvPB
InChI InChI=1S/C26H28N2O3S/c1-3-17-16-28(13-14-32(30)18-9-5-4-6-10-18)22-15-20(17)24(26(29)31-2)23-19-11-7-8-12-21(19)27-25(22)23/h3-12,20,22,24,27H,13-16H2,1-2H3/b17-3-/t20-,22-,24-,32?/m0/s1
InChIKey HHXGRJBGMATITN-XDEDTENBSA-N
Mol Weight 448.58 g/mol
Molecular Formula C26H28N2O3S
Exact Mass 448.182064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4fylj7Wk2bJ
Name METHYL-4(E)-ETHYLIDENE-2-[2-(PHENYLSULFINYL)-ETHYL]-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-BETA-CARBOXYLATE;MAJOR-ISOMER
Compound Number 16A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28N2O3S
InChI InChI=1S/C26H28N2O3S/c1-3-17-16-28(13-14-32(30)18-9-5-4-6-10-18)22-15-20(17)24(26(29)31-2)23-19-11-7-8-12-21(19)27-25(22)23/h3-12,20,22,24,27H,13-16H2,1-2H3/b17-3-/t20-,22-,24-,32?/m0/s1
InChIKey HHXGRJBGMATITN-XDEDTENBSA-N
Literature Reference Author M.L.BENNASAR,E.ZULAICA,A.RAMIREZ,J.BOSCH
Literature Reference Citation J.ORG.CHEM.,61,1239(1996)
Literature Reference DOI 10.1021/jo951456f
Molecular Weight 448.580 g/mol
Solvent CDCl3
Source File Reference UWGE1549