| SpectraBase Spectrum ID |
KFKe6cS55kF |
| Name |
Methyl 3-{(1S,2S,5S,3Z)-3-(2-tert-butoxy-2-oxoethylidene)-1,5-dimethyl-7-oxo-4-aza-6-oxa-bicyclo[3.3.0]oct-2-yl}-propionate |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H27NO6 |
| InChI |
InChI=1S/C18H27NO6/c1-16(2,3)24-14(21)9-12-11(7-8-13(20)23-6)17(4)10-15(22)25-18(17,5)19-12/h9,11,19H,7-8,10H2,1-6H3/b12-9-/t11-,17+,18+/m1/s1 |
| InChIKey |
CXZYQOQWBXGZRJ-NQBHSKEJSA-N |
| Instrument Name |
Finnigan MAT 8200 or Finnigan MAT 95 or Finnigan MAT 95 XL |
| Ionization Type |
EI |
| Literature Reference DOI |
10.24820/ark.5550190.p011.422 |
| Molecular Weight |
353.415 g/mol |
| Reported Formula |
C18H27NO6 |
| SMILES |
N1\C([C@]([C@@]2(CC(O[C@]12C)=O)C)(CCC(=O)OC)[H])=C/C(OC(C)(C)C)=O |
| SPLASH |
splash10-00kr-0390000000-d5f3246fcace3d4607a9 |
| Source of Spectrum |
ARK-2021-53-12 |
| Thin-Layer Chromatography |
Rf = 0.46 (CH2Cl2/EtOAc, 8.5:1) |
| Wiley ID |
1873112 |
![Methyl 3-{(1S,2S,5S,3Z)-3-(2-tert-butoxy-2-oxoethylidene)-1,5-dimethyl-7-oxo-4-aza-6-oxa-bicyclo[3.3.0]oct-2-yl}-propionate](/api/spectrum/KFKe6cS55kF/structure.png?h=300&w=458 "Methyl 3-{(1S,2S,5S,3Z)-3-(2-tert-butoxy-2-oxoethylidene)-1,5-dimethyl-7-oxo-4-aza-6-oxa-bicyclo[3.3.0]oct-2-yl}-propionate")
