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(1R,1''S)-2,3,4,9-TETRAHYDRO-1-[[3'-(1''-HYDROXYETHYL)-4'-PYRIDINYL]-METHYL]-2-METHYL-9-(PARA-TOLUENESULFONYL)-1H-PYRIDO-[3,4-B]-INDOLE

View entire compound with spectra: 1 NMR

(1R,1''S)-2,3,4,9-TETRAHYDRO-1-[[3'-(1''-HYDROXYETHYL)-4'-PYRIDINYL]-METHYL]-2-METHYL-9-(PARA-TOLUENESULFONYL)-1H-PYRIDO-[3,4-B]-INDOLE
SpectraBase Compound ID GWWwqaSo2ai
InChI InChI=1S/C27H29N3O3S/c1-18-8-10-21(11-9-18)34(32,33)30-25-7-5-4-6-22(25)23-13-15-29(3)26(27(23)30)16-20-12-14-28-17-24(20)19(2)31/h4-12,14,17,19,26,31H,13,15-16H2,1-3H3/t19-,26+/m0/s1
InChIKey JMLYXEUFBLSQTH-AFMDSPMNSA-N
Mol Weight 475.61 g/mol
Molecular Formula C27H29N3O3S
Exact Mass 475.192963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I2GNTrH1hRW
Name (1R,1''S)-2,3,4,9-TETRAHYDRO-1-[[3'-(1''-HYDROXYETHYL)-4'-PYRIDINYL]-METHYL]-2-METHYL-9-(PARA-TOLUENESULFONYL)-1H-PYRIDO-[3,4-B]-INDOLE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H29N3O3S
InChI InChI=1S/C27H29N3O3S/c1-18-8-10-21(11-9-18)34(32,33)30-25-7-5-4-6-22(25)23-13-15-29(3)26(27(23)30)16-20-12-14-28-17-24(20)19(2)31/h4-12,14,17,19,26,31H,13,15-16H2,1-3H3/t19-,26+/m0/s1
InChIKey JMLYXEUFBLSQTH-AFMDSPMNSA-N
Literature Reference Author A.W.REY,W.A.SZAREK,D.B.MACLEAN
Literature Reference Citation CAN.J.CHEM.,70,2922(1992)
Literature Reference DOI 10.1139/v92-374
Molecular Weight 475.606 g/mol
Solvent CDCl3
Source File Reference UWVP5612