| SpectraBase Spectrum ID |
IpS022YnEEQ |
| Name |
1-((2S*,3R*)-3-(3-(1-((2,4,6-Triisopropylphenyl)sulfonyl)-1H-pyrrol-2-yl)propyl)oxiran-2-yl)ethan-1-one |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
459.244329845 u |
| Formula |
C26H37NO4S |
| InChI |
InChI=1S/C26H37NO4S/c1-16(2)20-14-22(17(3)4)26(23(15-20)18(5)6)32(29,30)27-13-9-11-21(27)10-8-12-24-25(31-24)19(7)28/h9,11,13-18,24-25H,8,10,12H2,1-7H3/t24-,25-/m1/s1 |
| InChIKey |
WOBFQLKJDHVNDW-JWQCQUIFSA-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 |
459.645 g/mol |
| Reported Formula |
C26H37NO4S |
| SMILES |
C([C@@]1([C@](O1)(CCCC1=CC=CN1S(C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)(=O)=O)[H])[H])(=O)C |
| SPLASH |
splash10-0udi-0091000000-1c28a1331757f5c40949 |
| Source of Spectrum |
ACI-57-SM21-2d.1 (DOI: 10.1002/anie.201711439) |
| Thin-Layer Chromatography |
0.30 (EtOAc/hexane, 10%) |
| Wiley ID |
1890671 |
