| SpectraBase Compound ID | 5hstpuPJXXS |
|---|---|
| InChI | InChI=1S/C58H64O10.2CHF3O3S/c1-43-51(61-37-45-23-9-3-10-24-45)53(63-39-47-27-13-5-14-28-47)55(65-41-49-31-17-7-18-32-49)57(67-43)59-35-21-22-36-60-58-56(66-42-50-33-19-8-20-34-50)54(64-40-48-29-15-6-16-30-48)52(44(2)68-58)62-38-46-25-11-4-12-26-46;2*2-1(3,4)8(5,6)7/h3-34,43-44,51-58H,35-42H2,1-2H3;2*(H,5,6,7)/p-2/b22-21+;;/t43-,44-,51-,52-,53+,54+,55+,56+,57+,58+;;/m0../s1 |
| InChIKey | XCVKVFMBHMMMCW-SNQZCTEOSA-L |
| Mol Weight | 1219.27 g/mol |
| Molecular Formula | C60H64F6O16S2 |
| Exact Mass | 1218.353997 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ce7zIxr63ii |
|---|---|
| Name | XCVKVFMBHMMMCW-SNQZCTEOSA-L |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H64F6O16S2 |
| InChI | InChI=1S/C58H64O10.2CHF3O3S/c1-43-51(61-37-45-23-9-3-10-24-45)53(63-39-47-27-13-5-14-28-47)55(65-41-49-31-17-7-18-32-49)57(67-43)59-35-21-22-36-60-58-56(66-42-50-33-19-8-20-34-50)54(64-40-48-29-15-6-16-30-48)52(44(2)68-58)62-38-46-25-11-4-12-26-46;2*2-1(3,4)8(5,6)7/h3-34,43-44,51-58H,35-42H2,1-2H3;2*(H,5,6,7)/p-2/b22-21+;;/t43-,44-,51-,52-,53+,54+,55+,56+,57+,58+;;/m0../s1 |
| InChIKey | XCVKVFMBHMMMCW-SNQZCTEOSA-L |
| Literature Reference Author | D.B.BERKOWITZ,G.MAITI,B.D.CHARETTE,C.D.DREIS,R.G.M.DONALD |
| Literature Reference Citation | ORG.LETTERS,6,4921(2004) |
| Literature Reference DOI | 10.1021/ol0479444 |
| Solvent | CDCl3 |
| Source File Reference | UWLU50159 |