| SpectraBase Spectrum ID |
HtXisxb3gGM |
| Name |
(+)-(1S,5S,Z)-6-Allyl-2-benzylidene-8-(2,4-dimethoxybenzyl)-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 |
C26H28N2O4 |
| InChI |
InChI=1S/C26H28N2O4/c1-4-14-27-22-13-11-19(15-18-8-6-5-7-9-18)24(26(27)30)28(25(22)29)17-20-10-12-21(31-2)16-23(20)32-3/h4-10,12,15-16,22,24H,1,11,13-14,17H2,2-3H3/b19-15-/t22-,24-/m0/s1 |
| InChIKey |
WXYVLYUGIHPNDB-KSOQVBKSSA-N |
| Instrument Name |
Thermo-Finnigan MAT GCQ |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm801522j |
| Molecular Weight |
432.520 g/mol |
| Optical Rotation |
[a]D = +272 (c = 0.14, CH2Cl2) |
| SMILES |
C1\C([C@]2(C(N([C@@](C1)(C(N2Cc1ccc(cc1OC)OC)=O)[H])CC=C)=O)[H])=C\c1ccccc1 |
| SPLASH |
splash10-0ue9-0900800000-43446518f21dc4f4e390 |
| Source of Spectrum |
AF-52-SM23-(Z)-16b |
| Thin-Layer Chromatography |
Rf = 0.35 (cyclohexane/ethyl acetate, 1:1) |
| Wiley ID |
1873826 |
![(+)-(1S,5S,Z)-6-Allyl-2-benzylidene-8-(2,4-dimethoxybenzyl)-6,8-diazabicyclo[3.2.2]nonane-7,9-dione](/api/spectrum/HtXisxb3gGM/structure.png?h=300&w=458 "(+)-(1S,5S,Z)-6-Allyl-2-benzylidene-8-(2,4-dimethoxybenzyl)-6,8-diazabicyclo[3.2.2]nonane-7,9-dione")
