| SpectraBase Spectrum ID |
3B9novWg1A |
| Name |
(+)-(1S,2S,5S)-6-Allyl-8-(2,4-dimethoxybenzyl)-2-phenoxy-6,8-diazabicyclo[3.2.2]nonane-7,9-dione |
| Appearance |
Colourless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H28N2O5 |
| InChI |
InChI=1S/C25H28N2O5/c1-4-14-26-20-12-13-21(32-18-8-6-5-7-9-18)23(25(26)29)27(24(20)28)16-17-10-11-19(30-2)15-22(17)31-3/h4-11,15,20-21,23H,1,12-14,16H2,2-3H3/t20-,21-,23-/m0/s1 |
| InChIKey |
HAEUPYRWBSJPEK-FUDKSRODSA-N |
| Instrument Name |
Thermo-Finnigan MAT GCQ |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm801522j |
| Molecular Weight |
436.508 g/mol |
| Optical Rotation |
[a]D20= +25.3 (c = 0.20, CH2Cl2) |
| SMILES |
[C@@]1(Oc2ccccc2)(CC[C@@]2(N(C(=O)[C@]1(N(C2=O)Cc1ccc(OC)cc1OC)[H])CC=C)[H])[H] |
| SPLASH |
splash10-0udr-0901700000-5489162df1ce90d6e4b3 |
| Source of Spectrum |
AF-52-SM19-14b |
| Thin-Layer Chromatography |
Rf = 0.09 (cyclohexane/ethyl acetate, 2:1) |
| Wiley ID |
1873836 |
![(+)-(1S,2S,5S)-6-Allyl-8-(2,4-dimethoxybenzyl)-2-phenoxy-6,8-diazabicyclo[3.2.2]nonane-7,9-dione](/api/spectrum/3B9novWg1A/structure.png?h=300&w=458 "(+)-(1S,2S,5S)-6-Allyl-8-(2,4-dimethoxybenzyl)-2-phenoxy-6,8-diazabicyclo[3.2.2]nonane-7,9-dione")
