| SpectraBase Spectrum ID |
Fs6wUpXLhHu |
| Name |
tert-butyl (3aR,6R,8aS)-6-ethyl-7-[(1S)-2-methoxy-1-methyl-2-oxo-ethyl]-8-oxo-3,3a,6,8a-tetrahydro-2H-pyrrolo[2,3-c]azepine-1-carboxylate |
| Appearance |
Colorless viscous oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H30N2O5 |
| InChI |
InChI=1S/C19H30N2O5/c1-7-14-9-8-13-10-11-20(18(24)26-19(3,4)5)15(13)16(22)21(14)12(2)17(23)25-6/h8-9,12-15H,7,10-11H2,1-6H3/t12-,13-,14+,15-/m0/s1 |
| InChIKey |
QPHLFYOSOJPLHL-XQLPTFJDSA-N |
| Instrument Name |
Agilent 6890-5937 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202000307 |
| Molecular Weight |
366.458 g/mol |
| Optical Rotation |
[a]D20 = -456.9 (365 nm), -295.8 (436 nm), -175.2 (546 nm), -153.9 (579 nm), -148.6 (589 nm) (c = 0.510 g/100 ml, CHCl3) |
| SMILES |
C1N([C@]2([C@](C1)(C=C[C@](N(C2=O)[C@](C(=O)OC)(C)[H])(CC)[H])[H])[H])C(=O)OC(C)(C)C |
| SPLASH |
splash10-052f-8950000000-f433ba5507ea6c22958d |
| Source of Spectrum |
QE-26-SM44-7c |
| Thin-Layer Chromatography |
Rf = 0.29 (Silica, cHex/EtOAc, 1:1) |
| Wiley ID |
1858606 |
![tert-butyl (3aR,6R,8aS)-6-ethyl-7-[(1S)-2-methoxy-1-methyl-2-oxo-ethyl]-8-oxo-3,3a,6,8a-tetrahydro-2H-pyrrolo[2,3-c]azepine-1-carboxylate](/api/spectrum/Fs6wUpXLhHu/structure.png?h=300&w=458 "tert-butyl (3aR,6R,8aS)-6-ethyl-7-[(1S)-2-methoxy-1-methyl-2-oxo-ethyl]-8-oxo-3,3a,6,8a-tetrahydro-2H-pyrrolo[2,3-c]azepine-1-carboxylate")
