| SpectraBase Spectrum ID |
FhwWewVO3i6 |
| Name |
[(1S)-1-(2-oxo-6,8a-dihydro-4aH-pyrano[3,2-b]pyran-6-yl)ethyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate |
| Appearance |
oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H19F3O6 |
| InChI |
InChI=1S/C20H19F3O6/c1-12(14-8-9-16-15(28-14)10-11-17(24)29-16)27-18(25)19(26-2,20(21,22)23)13-6-4-3-5-7-13/h3-12,14-16H,1-2H3/t12-,14?,15?,16?,19-/m0/s1 |
| InChIKey |
MILKPRHYOYMEOL-SQPXQKSKSA-N |
| Instrument Name |
Fisons Trio 2000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020367c |
| Molecular Weight |
412.361 g/mol |
| Optical Rotation |
[a]D25 = +35.5 (c = 0.36) |
| SMILES |
C1(OC2C(C=C1)OC(C=C2)=O)[C@@](OC([C@](c1ccccc1)(OC)C(F)(F)F)=O)(C)[H] |
| SPLASH |
splash10-00kr-6901000000-dba7e2cf695e7e03c849 |
| Source of Spectrum |
G4-66-315-2 |
| Wiley ID |
1881223 |
![[(1S)-1-(2-oxo-6,8a-dihydro-4aH-pyrano[3,2-b]pyran-6-yl)ethyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate](/api/spectrum/FhwWewVO3i6/structure.png?h=300&w=458 "[(1S)-1-(2-oxo-6,8a-dihydro-4aH-pyrano[3,2-b]pyran-6-yl)ethyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate")
