| SpectraBase Spectrum ID |
6qQYiYOL2CY |
| Name |
(2R,4S,5R)-2-((2,2,2-trifluoroacetoxy)methyl)-6-(((E)-4-(2,6,6-trimethyl-4-oxo-1-(2,2,2-trifluoroacetoxy)cyclohex-2-en-1-yl)but-3-en-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2,2-trifluoroacetate) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H25F15O13 |
| InChI |
InChI=1S/C29H25F15O13/c1-10-7-12(45)8-23(3,4)24(10,57-22(50)29(42,43)44)6-5-11(2)52-17-16(56-21(49)28(39,40)41)15(55-20(48)27(36,37)38)14(54-19(47)26(33,34)35)13(53-17)9-51-18(46)25(30,31)32/h5-7,11,13-17H,8-9H2,1-4H3/b6-5+ |
| InChIKey |
MIHGVFQWWLBUMI-AATRIKPKSA-N |
| Literature Reference DOI |
10.1016/j.chroma.2013.08.051 |
| Molecular Weight |
866.482 g/mol |
| SMILES |
C1(C(C(C(C(O1)OC(C)\C=C\C1(C(CC(C=C1C)=O)(C)C)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)COC(C(F)(F)F)=O |
| SPLASH |
splash10-0fk9-1900000000-40916104d68b37b24e42 |
| Source of Spectrum |
Kai Cai, et al. Journal of Chromatography A, 10.1016/j.chroma.2013.08.051 |
| Wiley ID |
1816194 |
