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(3aS*,9bS*)-Methyl 2,3,3a,4,5,9b-hexahydro-1-(4-methoxybenzyl)-5-(4-toluenesulfonyl)-1H-pyrrolo[3,2-c]quinoline-8-carboxylate

View entire compound with spectra: 1 MS (GC)

(3aS*,9bS*)-Methyl 2,3,3a,4,5,9b-hexahydro-1-(4-methoxybenzyl)-5-(4-toluenesulfonyl)-1H-pyrrolo[3,2-c]quinoline-8-carboxylate
SpectraBase Compound ID hV7xhPzb5H
InChI InChI=1S/C28H30N2O5S/c1-19-4-11-24(12-5-19)36(32,33)30-18-22-14-15-29(17-20-6-9-23(34-2)10-7-20)27(22)25-16-21(28(31)35-3)8-13-26(25)30/h4-13,16,22,27H,14-15,17-18H2,1-3H3/t22-,27-/m0/s1
InChIKey MLUGPVFNNVXILA-CUNXSJBXSA-N
Mol Weight 506.62 g/mol
Molecular Formula C28H30N2O5S
Exact Mass 506.187543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QMB3KfEHuj
Name (3aS*,9bS*)-Methyl 2,3,3a,4,5,9b-hexahydro-1-(4-methoxybenzyl)-5-(4-toluenesulfonyl)-1H-pyrrolo[3,2-c]quinoline-8-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30N2O5S
InChI InChI=1S/C28H30N2O5S/c1-19-4-11-24(12-5-19)36(32,33)30-18-22-14-15-29(17-20-6-9-23(34-2)10-7-20)27(22)25-16-21(28(31)35-3)8-13-26(25)30/h4-13,16,22,27H,14-15,17-18H2,1-3H3/t22-,27-/m0/s1
InChIKey MLUGPVFNNVXILA-CUNXSJBXSA-N
Molecular Weight 506.617 g/mol
SMILES c12N(S(c3ccc(cc3)C)(=O)=O)C[C@@]3(CCN([C@@]3(c1cc(cc2)C(=O)OC)[H])Cc1ccc(cc1)OC)[H]
SPLASH splash10-0udi-0659000000-bbbce690e9febe06b6da
Source of Spectrum KC-57-4103-30
Synonyms Methyl (3aS,9bS)-1-(4-methoxybenzyl)-5-[(4-methylphenyl)sulfonyl]-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxylate
Wiley ID 1624049