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METHYL-2-(2-ACETOXYETHYL)-4(E)-ETHYLIDENE-11-(PHENYLSULFONYL)-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-BETA-CARBOXYLATE

View entire compound with spectra: 1 NMR

METHYL-2-(2-ACETOXYETHYL)-4(E)-ETHYLIDENE-11-(PHENYLSULFONYL)-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-BETA-CARBOXYLATE
SpectraBase Compound ID 2243EDvzV6x
InChI InChI=1S/C28H30N2O6S/c1-4-19-17-29(14-15-36-18(2)31)24-16-22(19)26(28(32)35-3)25-21-12-8-9-13-23(21)30(27(24)25)37(33,34)20-10-6-5-7-11-20/h4-13,22,24,26H,14-17H2,1-3H3/b19-4+/t22-,24-,26-/m0/s1
InChIKey LNCIIAQLBCAQSY-KZEABRQTSA-N
Mol Weight 522.62 g/mol
Molecular Formula C28H30N2O6S
Exact Mass 522.182458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LUP7isazZVd
Name METHYL-2-(2-ACETOXYETHYL)-4(E)-ETHYLIDENE-11-(PHENYLSULFONYL)-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-BETA-CARBOXYLATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30N2O6S
InChI InChI=1S/C28H30N2O6S/c1-4-19-17-29(14-15-36-18(2)31)24-16-22(19)26(28(32)35-3)25-21-12-8-9-13-23(21)30(27(24)25)37(33,34)20-10-6-5-7-11-20/h4-13,22,24,26H,14-17H2,1-3H3/b19-4+/t22-,24-,26-/m0/s1
InChIKey LNCIIAQLBCAQSY-KZEABRQTSA-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 522.616 g/mol
Solvent CDCl3
Source File Reference UWGE1545