| SpectraBase Spectrum ID |
3rtAuttdhYD |
| Name |
[(2S,3S,4R,5R,6S)-4-acetoxy-5-methoxy-2-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-tetrahydropyran-3-yl] acetate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.014885017 u |
| Formula |
C13H18Cl3NO7 |
| InChI |
InChI=1S/C13H18Cl3NO7/c1-5-8(22-6(2)18)9(23-7(3)19)10(20-4)11(21-5)24-12(17)13(14,15)16/h5,8-11,17H,1-4H3/t5-,8-,9+,10+,11-/m0/s1 |
| InChIKey |
WCHFIRZENAPIDM-WXXZGKGSSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501491 |
| Molecular Weight |
406.646 g/mol |
| Optical Rotation |
[a]D20 = -59.9 (c = 1.06, CH2Cl2) |
| Quality |
187 |
| Reported Formula |
C13H18O7NCl3 |
| SMILES |
N=C(O[C@@]1(O[C@]([C@@]([C@]([C@]1(OC)[H])(OC(C)=O)[H])(OC(C)=O)[H])(C)[H])[H])C(Cl)(Cl)Cl |
| SPLASH |
splash10-0006-9710000000-edeb21b75b013b5a8628 |
| Source of Spectrum |
QE-21-SM54-59 (DOI: 10.1002/chem.201501491) |
| Wiley ID |
1906765 |
![[(2S,3S,4R,5R,6S)-4-acetoxy-5-methoxy-2-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-tetrahydropyran-3-yl] acetate](/api/spectrum/3rtAuttdhYD/structure.png?h=300&w=458 "[(2S,3S,4R,5R,6S)-4-acetoxy-5-methoxy-2-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-tetrahydropyran-3-yl] acetate")
