| SpectraBase Spectrum ID |
16inXvFQrrd |
| Name |
(1S,3R)-Methyl-2-benzyl-1-(4-methoxy-2,4-dioxobutyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate |
| Appearance |
Yellow needle-shaped crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H26N2O5 |
| InChI |
InChI=1S/C25H26N2O5/c1-31-23(29)13-17(28)12-21-24-19(18-10-6-7-11-20(18)26-24)14-22(25(30)32-2)27(21)15-16-8-4-3-5-9-16/h3-11,21-22,26H,12-15H2,1-2H3/t21-,22+/m0/s1 |
| InChIKey |
PPQAKADNMRSLTC-FCHUYYIVSA-N |
| Instrument Name |
Hewlett Packard 5985B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np200759h |
| Molecular Weight |
434.492 g/mol |
| Optical Rotation |
[a]26D = -10.71 (c = 1.12, CHCl3) |
| Reported Formula |
C25H26N2O5 |
| SMILES |
[nH]1c2c(c3ccccc13)C[C@@](N([C@]2(CC(=O)CC(OC)=O)[H])Cc1ccccc1)(C(OC)=O)[H] |
| SPLASH |
splash10-014l-5219000000-98f8c9d44c320fd530a9 |
| Source of Spectrum |
G4-75-187-18 |
| Thin-Layer Chromatography |
Rf = 0.55 (silica gel,EtOAc/hexanes, 2:3) |
| Wiley ID |
1854755 |
![(1S,3R)-Methyl-2-benzyl-1-(4-methoxy-2,4-dioxobutyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate](/api/spectrum/16inXvFQrrd/structure.png?h=300&w=458 "(1S,3R)-Methyl-2-benzyl-1-(4-methoxy-2,4-dioxobutyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate")
