| SpectraBase Spectrum ID |
D8y2U8lJ6Xh |
| Name |
trans-(1S,3R)-(-)-2-benzyl-3-ethoxycarbonyl-1-methoxycarbonylethyl-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H28N2O4 |
| InChI |
InChI=1S/C25H28N2O4/c1-3-31-25(29)22-15-19-18-11-7-8-12-20(18)26-24(19)21(13-14-23(28)30-2)27(22)16-17-9-5-4-6-10-17/h4-12,21-22,26H,3,13-16H2,1-2H3/t21-,22+/m0/s1 |
| InChIKey |
PLJWMVJOMCFRAO-FCHUYYIVSA-N |
| Instrument Name |
HewlettPackard 5985B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np060391g |
| Molecular Weight |
420.509 g/mol |
| Optical Rotation |
[a]D25 = -29.1 (c = 1.01, CHCl3) |
| SMILES |
[nH]1c2c(c3c1cccc3)C[C@@](N([C@]2(CCC(OC)=O)[H])Cc1ccccc1)(C(=O)OCC)[H] |
| SPLASH |
splash10-001i-0309200000-152adcffb9292f29500b |
| Source of Spectrum |
G4-70-SM22-3a |
| Wiley ID |
1874319 |
