| SpectraBase Spectrum ID |
Kntrvf8aIG2 |
| Name |
[(1R,2R)-2-(1,5-dimethylhexa-1,4-dienyl)-1-hydroxy-4-oxo-cyclohexyl]methyl 4-methylbenzenesulfonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H30O5S |
| InChI |
InChI=1S/C22H30O5S/c1-16(2)6-5-7-18(4)21-14-19(23)12-13-22(21,24)15-27-28(25,26)20-10-8-17(3)9-11-20/h6-11,21,24H,5,12-15H2,1-4H3/t21-,22+/m1/s1 |
| InChIKey |
IRMASPKRXWDJJB-YADHBBJMSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Molecular Weight |
406.537 g/mol |
| Optical Rotation |
[a]D23 = -3.1 (c = 1.0, CH2Cl2) |
| Reported Formula |
C22H30O5S |
| SMILES |
O[C@@]1(COS(c2ccc(cc2)C)(=O)=O)[C@](CC(CC1)=O)(C(=CCC=C(C)C)C)[H] |
| SPLASH |
splash10-0ab9-0900000000-85b901f50286650b2e09 |
| Source of Spectrum |
US8299067B2 |
| Thin-Layer Chromatography |
Rf = 0.11 (silica gel, hexanes/EtOAc, 4:1) |
| Wiley ID |
1846850 |
![[(1R,2R)-2-(1,5-dimethylhexa-1,4-dienyl)-1-hydroxy-4-oxo-cyclohexyl]methyl 4-methylbenzenesulfonate](/api/spectrum/Kntrvf8aIG2/structure.png?h=300&w=458 "[(1R,2R)-2-(1,5-dimethylhexa-1,4-dienyl)-1-hydroxy-4-oxo-cyclohexyl]methyl 4-methylbenzenesulfonate")
