| SpectraBase Spectrum ID |
BIW9fGs182P |
| Name |
(+)-(1S,2S,5S)-6-Allyl-2-benzyloxy-8-(4-methoxybenzyl)-6,8-diazabicyclo[3.2.2]nonane-7,9-dione |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H28N2O4 |
| InChI |
InChI=1S/C25H28N2O4/c1-3-15-26-21-13-14-22(31-17-19-7-5-4-6-8-19)23(25(26)29)27(24(21)28)16-18-9-11-20(30-2)12-10-18/h3-12,21-23H,1,13-17H2,2H3/t21-,22-,23+/m1/s1 |
| InChIKey |
LEBGFVJSOYAJRV-ZLNRFVROSA-N |
| Instrument Name |
Thermo-Finnigan MAT GCQ |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm801522j |
| Molecular Weight |
420.509 g/mol |
| Optical Rotation |
[a]D20 = +14.0 (c = 0.32, CH2Cl2) |
| SMILES |
c1cc(CO[C@]2([C@@]3(N(C([C@](N(CC=C)C3=O)(CC2)[H])=O)Cc2ccc(OC)cc2)[H])[H])ccc1 |
| SPLASH |
splash10-00di-2901000000-0bf8ac83b9a2cfa6bc89 |
| Source of Spectrum |
AF-52-SM10-10a |
| Thin-Layer Chromatography |
Rf = 0.16 (cyclohexane/ethyl acetate, 2:1) |
| Wiley ID |
1873827 |
![(+)-(1S,2S,5S)-6-Allyl-2-benzyloxy-8-(4-methoxybenzyl)-6,8-diazabicyclo[3.2.2]nonane-7,9-dione](/api/spectrum/BIW9fGs182P/structure.png?h=300&w=458 "(+)-(1S,2S,5S)-6-Allyl-2-benzyloxy-8-(4-methoxybenzyl)-6,8-diazabicyclo[3.2.2]nonane-7,9-dione")
