| SpectraBase Compound ID | 1cmJ2qfsFfF |
|---|---|
| InChI | InChI=1S/C27H14F24O18/c28-20(29,30)12(52)60-1-4(64-15(55)23(37,38)39)7(5(65-16(56)24(40,41)42)2-61-13(53)21(31,32)33)66-11-10(69-19(59)27(49,50)51)9(68-18(58)26(46,47)48)8(67-17(57)25(43,44)45)6(63-11)3-62-14(54)22(34,35)36/h4-11H,1-3H2/t4-,5-,6-,8-,9+,10-,11-/m1/s1 |
| InChIKey | NZGCPYYDGSQVNH-QQTNVRADSA-N |
| Mol Weight | 1082.35 g/mol |
| Molecular Formula | C27H14F24O18 |
| Exact Mass | 1081.97969 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CAABlhNtfjF |
|---|---|
| Name | 3-O-.alpha.-D-glucopyranosyl-D-arabinitol octakis(trifluoroacetate) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H14F24O18 |
| InChI | InChI=1S/C27H14F24O18/c28-20(29,30)12(52)60-1-4(64-15(55)23(37,38)39)7(5(65-16(56)24(40,41)42)2-61-13(53)21(31,32)33)66-11-10(69-19(59)27(49,50)51)9(68-18(58)26(46,47)48)8(67-17(57)25(43,44)45)6(63-11)3-62-14(54)22(34,35)36/h4-11H,1-3H2/t4-,5-,6-,8-,9+,10-,11-/m1/s1 |
| InChIKey | NZGCPYYDGSQVNH-QQTNVRADSA-N |
| Molecular Weight | 1082.353 g/mol |
| SMILES | [C@@]1([C@]([C@](OC(C(F)(F)F)=O)([C@](O[C@@]1(OC([C@](OC(C(F)(F)F)=O)(COC(C(F)(F)F)=O)[H])[C@](OC(C(F)(F)F)=O)(COC(C(F)(F)F)=O)[H])[H])(COC(C(F)(F)F)=O)[H])[H])(OC(C(F)(F)F)=O)[H])(OC(C(F)(F)F)=O)[H] |
| SPLASH | splash10-014i-9736000000-b46fc6cbadd7e07560d5 |
| Source of Spectrum | J-54-5263-0 |
| Wiley ID | 1418557 |