| SpectraBase Spectrum ID |
6jbTscOWnpI |
| Name |
(-)-(1R,4S)-12-Allyl-2-(2,4-dimethoxybenzyl)-6-methyl-2,3,4,5-tetrahydro-4,1-iminomethano-1H-azepino[3,4-b]quinoline |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H31N3O2 |
| InChI |
InChI=1S/C27H31N3O2/c1-5-12-29-17-25-27-23(18(2)22-8-6-7-9-24(22)28-27)13-20(29)16-30(25)15-19-10-11-21(31-3)14-26(19)32-4/h5-11,14,20,25H,1,12-13,15-17H2,2-4H3/t20-,25+/m0/s1 |
| InChIKey |
COVGTYFDBSEGMI-NBGIEHNGSA-N |
| Instrument Name |
Thermo-Finnigan MAT GCQ |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm801522j |
| Molecular Weight |
429.564 g/mol |
| Optical Rotation |
[a]D20 = -10.8 (c = 0.16, CH2Cl2) |
| SMILES |
c12c(C[C@@]3(N(C[C@]2(N(C3)Cc2ccc(cc2OC)OC)[H])CC=C)[H])c(c2c(n1)cccc2)C |
| SPLASH |
splash10-004i-0390200000-a17077b90a80416fc902 |
| Source of Spectrum |
AF-52-SM39-23b |
| Thin-Layer Chromatography |
Rf = 0.03 (CH2Cl2/methanol, 50:1) |
| Wiley ID |
1873846 |
![(-)-(1R,4S)-12-Allyl-2-(2,4-dimethoxybenzyl)-6-methyl-2,3,4,5-tetrahydro-4,1-iminomethano-1H-azepino[3,4-b]quinoline](/api/spectrum/6jbTscOWnpI/structure.png?h=300&w=458 "(-)-(1R,4S)-12-Allyl-2-(2,4-dimethoxybenzyl)-6-methyl-2,3,4,5-tetrahydro-4,1-iminomethano-1H-azepino[3,4-b]quinoline")
