| SpectraBase Spectrum ID |
7ZAr4vyhjMt |
| Name |
Benzyl (4aS,4bR,7aS,7bR)-2,2-dimethyl-4-oxooctahydrocyclopenta[3,4]cyclobuta[1,2-b]pyran-7b(2H)-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H24O4 |
| InChI |
InChI=1S/C20H24O4/c1-19(2)11-16(21)17-14-9-6-10-15(14)20(17,24-19)18(22)23-12-13-7-4-3-5-8-13/h3-5,7-8,14-15,17H,6,9-12H2,1-2H3/t14-,15+,17-,20-/m1/s1 |
| InChIKey |
QHBOTGIHISCDKP-DOHHPOSVSA-N |
| Instrument Name |
Thermo Scientific DFS-HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202000720 |
| Molecular Weight |
328.408 g/mol |
| Optical Rotation |
[a]D25 = +58.2 (c = 0.50, CHCl3) |
| Reported Formula |
C20H24O4 |
| SMILES |
c1cc(ccc1)COC(=O)[C@@]12[C@]([C@]3([C@@]2(CCC3)[H])[H])(C(CC(O1)(C)C)=O)[H] |
| SPLASH |
splash10-03dl-9150000000-9c61f2dbfe7b54115295 |
| Sample Comments |
dr = 68:32, er = 93:7, 85% ee |
| Source of Spectrum |
QE-26-SM23-11a |
| Thin-Layer Chromatography |
Rf = 0.61 (P/Et2O, 2:1) |
| Wiley ID |
1858659 |
![Benzyl (4aS,4bR,7aS,7bR)-2,2-dimethyl-4-oxooctahydrocyclopenta[3,4]cyclobuta[1,2-b]pyran-7b(2H)-carboxylate](/api/spectrum/7ZAr4vyhjMt/structure.png?h=300&w=458 "Benzyl (4aS,4bR,7aS,7bR)-2,2-dimethyl-4-oxooctahydrocyclopenta[3,4]cyclobuta[1,2-b]pyran-7b(2H)-carboxylate")
