| SpectraBase Spectrum ID |
1V6WRZHTxvT |
| Name |
Toluene-4-sulfonic acid (1R,2R,6S)-1,5,5-trimethyl-6-((E)-3-oxo-but-1-enyl)-7-oxa-bicyclo[4.1.0]hept-2-yl ester |
| Alternate Name(s) |
(E)-4-(1-tosyloxy-4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-5-yl)-3-buten-2-one
(E)-4-(1-tosyloxy-4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-5-yl)but-3-en-2-one |
| CAS Registry Number |
80868-21-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H26O5S |
| InChI |
InChI=1S/C20H26O5S/c1-14-6-8-16(9-7-14)26(22,23)24-17-11-12-18(3,4)20(13-10-15(2)21)19(17,5)25-20/h6-10,13,17H,11-12H2,1-5H3/b13-10+/t17-,19-,20+/m1/s1 |
| InChIKey |
QAKLKOPKXYZJAG-DAELEMFKSA-N |
| Molecular Weight |
378.483 g/mol |
| SMILES |
[C@]12([C@]([C@](OS(c3ccc(cc3)C)(=O)=O)(CCC1(C)C)[H])(C)O2)\C=C\C(=O)C |
| SPLASH |
splash10-00di-2900000000-650762ffa089bfef2098 |
| Source of Spectrum |
H-64-2694-(-)-3 |
| Wiley ID |
1358706 |
![Toluene-4-sulfonic acid (1R,2R,6S)-1,5,5-trimethyl-6-((E)-3-oxo-but-1-enyl)-7-oxa-bicyclo[4.1.0]hept-2-yl ester](/api/spectrum/1V6WRZHTxvT/structure.png?h=300&w=458 "Toluene-4-sulfonic acid (1R,2R,6S)-1,5,5-trimethyl-6-((E)-3-oxo-but-1-enyl)-7-oxa-bicyclo[4.1.0]hept-2-yl ester")
