| SpectraBase Spectrum ID |
80DVxU2hX66 |
| Name |
2-[(Trifluoroacetoamido)ethyl] 2,2',3,,6,6'-penta - O-benzyl-.beta.-D-lactoside |
| Comments |
Less than 3 mono-isotopic peaks; Note: The molecular formula of the structure shown is C51H56F3NO13 - which differs from the formula reported for the mass spectrum (C52H60F3NO13) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C52H60F3NO13 |
| InChI |
InChI=1S/C51H56F3NO13/c52-51(53,54)68-50(58)55-26-27-61-48-47(64-32-39-24-14-5-15-25-39)46(63-31-38-22-12-4-13-23-38)44(41(66-48)34-60-29-36-18-8-2-9-19-36)67-49-45(62-30-37-20-10-3-11-21-37)43(57)42(56)40(65-49)33-59-28-35-16-6-1-7-17-35/h1-25,40-49,56-57H,26-34H2,(H,55,58)/t40-,41-,42+,43+,44-,45-,46+,47-,48-,49+/m1/s1 |
| InChIKey |
DBYIPUBTYAQMGS-GCIZIPIASA-N |
| Molecular Weight |
947.998 g/mol |
| SMILES |
O[C@@]1([C@]([C@](O[C@@]2([C@](O[C@@](OCCNC(OC(F)(F)F)=O)([C@@]([C@]2(OCc2ccccc2)[H])(OCc2ccccc2)[H])[H])(COCc2ccccc2)[H])[H])(O[C@@]([C@@]1(O)[H])(COCc1ccccc1)[H])[H])(OCc1ccccc1)[H])[H] |
| SPLASH |
splash10-03di-0000000009-1c756b9cb0ab077b4696 |
| Source of Spectrum |
QF-49-1309-10 |
| Wiley ID |
834121 |
![2-[(Trifluoroacetoamido)ethyl] 2,2',3,,6,6'-penta - O-benzyl-.beta.-D-lactoside](/api/spectrum/80DVxU2hX66/structure.png?h=300&w=458 "2-[(Trifluoroacetoamido)ethyl] 2,2',3,,6,6'-penta - O-benzyl-.beta.-D-lactoside")
