| SpectraBase Spectrum ID |
96lBuMwipuc |
| Name |
(+)-(1S,2R,5S)-6-Allyl-2-benzyloxy-8-(2,4-dimethoxybenzyl)-6,8-diazabicyclo[3.2.2]nonane-7,9-dione |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H30N2O5 |
| InChI |
InChI=1S/C26H30N2O5/c1-4-14-27-21-12-13-22(33-17-18-8-6-5-7-9-18)24(26(27)30)28(25(21)29)16-19-10-11-20(31-2)15-23(19)32-3/h4-11,15,21-22,24H,1,12-14,16-17H2,2-3H3/t21-,22+,24-/m0/s1 |
| InChIKey |
QBLJALCGHMCEHI-ZDXQCDESSA-N |
| Instrument Name |
Thermo-Finnigan MAT GCQ |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm801522j |
| Molecular Weight |
450.535 g/mol |
| Optical Rotation |
[a]D20 = +142.2 (c = 0.32, CH2Cl2) |
| SMILES |
[C@]1([C@]2(C(N([C@@](CC1)(C(N2Cc1ccc(cc1OC)OC)=O)[H])CC=C)=O)[H])(OCc1ccccc1)[H] |
| SPLASH |
splash10-0udi-1900000000-41b345c876fc871cb5fc |
| Source of Spectrum |
AF-52-SM6-7b |
| Thin-Layer Chromatography |
Rf = 0.26 (petroleum ether/ethyl acetate, 3:7) |
| Wiley ID |
1873854 |
![(+)-(1S,2R,5S)-6-Allyl-2-benzyloxy-8-(2,4-dimethoxybenzyl)-6,8-diazabicyclo[3.2.2]nonane-7,9-dione](/api/spectrum/96lBuMwipuc/structure.png?h=300&w=458 "(+)-(1S,2R,5S)-6-Allyl-2-benzyloxy-8-(2,4-dimethoxybenzyl)-6,8-diazabicyclo[3.2.2]nonane-7,9-dione")
