| SpectraBase Spectrum ID |
CosdlQ51pcY |
| Name |
[(1S)-1-[(1R)-4,6-dihydroxy-5-methyl-3-oxo-1H-isobenzofuran-1-yl]ethyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H19F3O7 |
| InChI |
InChI=1S/C21H19F3O7/c1-10-14(25)9-13-15(16(10)26)18(27)31-17(13)11(2)30-19(28)20(29-3,21(22,23)24)12-7-5-4-6-8-12/h4-9,11,17,25-26H,1-3H3/t11-,17-,20+/m0/s1 |
| InChIKey |
CAUSLSBURCNHEQ-PJFOTGOESA-N |
| Instrument Name |
APEX II FT-ICR |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np070590f |
| Molecular Weight |
440.371 g/mol |
| SMILES |
Oc1c(c(c2c(c1)[C@@](OC2=O)([C@](C)(OC([C@](c1ccccc1)(C(F)(F)F)OC)=O)[H])[H])O)C |
| SPLASH |
splash10-000i-0900000000-209157ba43ce10ae255b |
| Source of Spectrum |
G4-71-617-3a |
| Wiley ID |
1872016 |
![[(1S)-1-[(1R)-4,6-dihydroxy-5-methyl-3-oxo-1H-isobenzofuran-1-yl]ethyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate](/api/spectrum/CosdlQ51pcY/structure.png?h=300&w=458 "[(1S)-1-[(1R)-4,6-dihydroxy-5-methyl-3-oxo-1H-isobenzofuran-1-yl]ethyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate")
