| SpectraBase Spectrum ID |
18kCiEwOAVI |
| Name |
tert-Butyl 3-((tert-butyldiphenylsiloxy)methyl)-2-(3-((2R,3S)-3-(1-(triethylsiloxy)vinyl)oxiran-2-yl)-propyl)-1H-pyrrole-1-carboxylate |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
675.377527004 u |
| Formula |
C39H57NO5Si2 |
| InChI |
InChI=1S/C39H57NO5Si2/c1-11-46(12-2,13-3)45-30(4)36-35(43-36)26-20-25-34-31(27-28-40(34)37(41)44-38(5,6)7)29-42-47(39(8,9)10,32-21-16-14-17-22-32)33-23-18-15-19-24-33/h14-19,21-24,27-28,35-36H,4,11-13,20,25-26,29H2,1-3,5-10H3/t35-,36-/m1/s1 |
| InChIKey |
ULLWGNCYHFWVRI-LQFQNGICSA-N |
| Instrument Name |
Finnigan MAT 95 or API QSTAR PULSAR iLC/MS/TOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201711439 |
| Molecular Weight |
676.057 g/mol |
| Optical Rotation |
[a]D21.8 = +11.1 (c = 1.00, DCM) |
| Reported Formula |
C39H57NO5Si2 |
| SMILES |
C(OC(C)(C)C)(=O)N1C(=C(C=C1)CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)CCC[C@@]1([C@@](C(O[Si](CC)(CC)CC)=C)(O1)[H])[H] |
| SPLASH |
splash10-0002-0900000000-dfbc849c9d260787c27c |
| Sample Comments |
98.5% ee |
| Source of Spectrum |
ACI-57-SM79-(+)-9 (DOI: 10.1002/anie.201711439) |
| Thin-Layer Chromatography |
0.59 (EtOAc/hexane, 5%) |
| Wiley ID |
1890638 |
