| SpectraBase Spectrum ID |
B1dZsQWyHiq |
| Name |
Benzyl-(1S,6S)-3,3,7,7,8,8-hexamethyl-5-oxo-2-oxabicyclo[4.2.0]octane-1-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O4 |
| InChI |
InChI=1S/C21H28O4/c1-18(2)12-15(22)16-19(3,4)20(5,6)21(16,25-18)17(23)24-13-14-10-8-7-9-11-14/h7-11,16H,12-13H2,1-6H3/t16-,21+/m0/s1 |
| InChIKey |
GSJCOAXZKFKTAI-HRAATJIYSA-N |
| Instrument Name |
Thermo Scientific DFS-HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202000720 |
| Molecular Weight |
344.451 g/mol |
| Optical Rotation |
[a]D25 = +11.3 (c = 1.77, CH2Cl2) |
| Reported Formula |
C21H28O4 |
| SMILES |
c1cccc(COC(=O)[C@@]23OC(CC(=O)[C@@]3([H])C(C2(C)C)(C)C)(C)C)c1 |
| SPLASH |
splash10-01qc-9030000000-8228fd96c25c67050585 |
| Sample Comments |
34-46% ee, er = 73:27 |
| Source of Spectrum |
QE-26-SM34-20 |
| Thin-Layer Chromatography |
Rf = 0.62 (P/Et2O, 2:1) |
| Wiley ID |
1858665 |
![Benzyl-(1S,6S)-3,3,7,7,8,8-hexamethyl-5-oxo-2-oxabicyclo[4.2.0]octane-1-carboxylate](/api/spectrum/B1dZsQWyHiq/structure.png?h=300&w=458 "Benzyl-(1S,6S)-3,3,7,7,8,8-hexamethyl-5-oxo-2-oxabicyclo[4.2.0]octane-1-carboxylate")
