| SpectraBase Spectrum ID |
H29cuoSpF6N |
| Name |
Ethyl (1R,2S,3R,6R)-3-((tert-butyldimethylsilyl)oxy)-2-cyano-2-hydroxy-6-isopropyl-3-methylcyclohexane-1-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H37NO4Si |
| InChI |
InChI=1S/C20H37NO4Si/c1-10-24-17(22)16-15(14(2)3)11-12-19(7,20(16,23)13-21)25-26(8,9)18(4,5)6/h14-16,23H,10-12H2,1-9H3/t15-,16+,19-,20-/m1/s1 |
| InChIKey |
DKMQHPSBTGLALI-WOUAJJJCSA-N |
| Instrument Name |
Agilent 6890 and Finnigan MAT 95 XL |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.14.222 |
| Molecular Weight |
383.604 g/mol |
| Optical Rotation |
[a]D22 = -8.1 (c = 1.9, CHCl3), [a]D22 = -18.0 (c = 2.6, CHCl3) |
| Reported Formula |
C20H37NO4Si |
| SMILES |
O[C@]1([C@](CC[C@@]([C@]1(C(OCC)=O)[H])(C(C)C)[H])(C)O[Si](C(C)(C)C)(C)C)C#N |
| SPLASH |
splash10-004i-5490000000-31492eebc8bae52da48a |
| Source of Spectrum |
BJO-14-SM9-22 |
| Thin-Layer Chromatography |
Rf = 0.31 (petroleum ether/EtOAc, 20:1) |
| Wiley ID |
1845724 |
