| SpectraBase Spectrum ID |
FkLPGdWZlar |
| Name |
(+)-(1S,5S,Z)-6-Allyl-2-benzylidene-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 |
C25H26N2O3 |
| InChI |
InChI=1S/C25H26N2O3/c1-3-15-26-22-14-11-20(16-18-7-5-4-6-8-18)23(25(26)29)27(24(22)28)17-19-9-12-21(30-2)13-10-19/h3-10,12-13,16,22-23H,1,11,14-15,17H2,2H3/b20-16-/t22-,23-/m0/s1 |
| InChIKey |
HCPVYTJQOAOCKA-SUWKIFRFSA-N |
| Instrument Name |
Thermo-Finnigan MAT GCQ |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm801522j |
| Molecular Weight |
402.494 g/mol |
| Optical Rotation |
[a]D20 = +267 (c = 0.29, CH2Cl2) |
| SMILES |
C1\C([C@]2(C(N([C@@](C1)(C(N2Cc1ccc(cc1)OC)=O)[H])CC=C)=O)[H])=C\c1ccccc1 |
| SPLASH |
splash10-0udi-0100900000-82be4f1c18f87c86a3b9 |
| Source of Spectrum |
AF-52-SM22-16a |
| Thin-Layer Chromatography |
Rf = 0.18 (cyclohexane/ethyl acetate, 2:1) |
| Wiley ID |
1873839 |
![(+)-(1S,5S,Z)-6-Allyl-2-benzylidene-8-(4-methoxybenzyl)-6,8-diazabicyclo[3.2.2]nonane-7,9-dione](/api/spectrum/FkLPGdWZlar/structure.png?h=300&w=458 "(+)-(1S,5S,Z)-6-Allyl-2-benzylidene-8-(4-methoxybenzyl)-6,8-diazabicyclo[3.2.2]nonane-7,9-dione")
