| SpectraBase Spectrum ID |
49LadhjCKG |
| Name |
[1'S,1S,2R,(S)R]1-[1'-(Ethoxycarbonyl)-2',2'-dimethylpropyl]-2-(p-tolylsulfinyl)cyclohexanol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O4S |
| InChI |
InChI=1S/C21H32O4S/c1-6-25-19(22)18(20(3,4)5)21(23)14-8-7-9-17(21)26(24)16-12-10-15(2)11-13-16/h10-13,17-18,23H,6-9,14H2,1-5H3/t17-,18+,21-,26?/m1/s1 |
| InChIKey |
MVNBPQULODXXKB-LCRIIHOHSA-N |
| Molecular Weight |
380.543 g/mol |
| SMILES |
O[C@]1([C@]([S@](c2ccc(cc2)C)=O)(CCCC1)[H])[C@@](C(=O)OCC)(C(C)(C)C)[H] |
| SPLASH |
splash10-000i-3920000000-16b0634d08d6e3eb0bbb |
| Source of Spectrum |
J-61-9468-12 |
| Synonyms |
Ethyl (2S)-2-{(1S,2R)-1-hydroxy-2-[(4-methylphenyl)sulfinyl]cyclohexyl}-3,3-dimethylbutanoate |
| Wiley ID |
1359723 |
![[1'S,1S,2R,(S)R]1-[1'-(Ethoxycarbonyl)-2',2'-dimethylpropyl]-2-(p-tolylsulfinyl)cyclohexanol](/api/spectrum/49LadhjCKG/structure.png?h=300&w=458 "[1'S,1S,2R,(S)R]1-[1'-(Ethoxycarbonyl)-2',2'-dimethylpropyl]-2-(p-tolylsulfinyl)cyclohexanol")
