| SpectraBase Spectrum ID |
JWEP8Ls9Qsg |
| Name |
Benzyl (3aS,3bS,7aS,7bR)-7-oxodecahydro-3bH-cyclopenta[3,4]cyclobuta[1,2]benzene-3b-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H22O3 |
| InChI |
InChI=1S/C19H22O3/c20-16-10-5-11-19(15-9-4-8-14(15)17(16)19)18(21)22-12-13-6-2-1-3-7-13/h1-3,6-7,14-15,17H,4-5,8-12H2/t14-,15+,17-,19+/m1/s1 |
| InChIKey |
BXMHOCDALZOHFG-GFIVTLFCSA-N |
| Instrument Name |
Thermo Scientific DFS-HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202000720 |
| Molecular Weight |
298.382 g/mol |
| Optical Rotation |
[a]D25 = +32.3 (c = 1.55, CHCl3) |
| Reported Formula |
C20H24O4 |
| SMILES |
c1cc(ccc1)COC(=O)[C@@]12[C@]([C@]3([C@@]2(CCC3)[H])[H])(C(CCC1)=O)[H] |
| SPLASH |
splash10-0006-9120000000-2cda35a96f740df4eae6 |
| Sample Comments |
dr = 59:41, er = 86:14, 49-73% ee |
| Source of Spectrum |
QE-26-SM30-18 |
| Thin-Layer Chromatography |
Rf = 0.34 (P/Et2O, 2:1) |
| Wiley ID |
1858663 |
![Benzyl (3aS,3bS,7aS,7bR)-7-oxodecahydro-3bH-cyclopenta[3,4]cyclobuta[1,2]benzene-3b-carboxylate](/api/spectrum/JWEP8Ls9Qsg/structure.png?h=300&w=458 "Benzyl (3aS,3bS,7aS,7bR)-7-oxodecahydro-3bH-cyclopenta[3,4]cyclobuta[1,2]benzene-3b-carboxylate")
