| SpectraBase Compound ID | K1WcG1I3Exj |
|---|---|
| InChI | InChI=1S/C91H68F5NO22/c92-69-70(93)72(95)76(73(96)71(69)94)114-88(105)66(97-91(106)109-49-65-63-42-24-22-40-61(63)62-41-23-25-43-64(62)65)48-52-44-46-60(47-45-52)110-89-79(117-86(103)58-36-18-6-19-37-58)78(116-85(102)57-34-16-5-17-35-57)75(68(111-89)51-108-82(99)54-28-10-2-11-29-54)119-90-80(118-87(104)59-38-20-7-21-39-59)77(115-84(101)56-32-14-4-15-33-56)74(113-83(100)55-30-12-3-13-31-55)67(112-90)50-107-81(98)53-26-8-1-9-27-53/h1-47,65-68,74-75,77-80,89-90H,48-51H2,(H,97,106)/t66-,67-,68-,74-,75-,77+,78+,79-,80-,89+,90-/m0/s1 |
| InChIKey | CFAZBVPVTZVLIX-ZBHSRLBVSA-N |
| Mol Weight | 1622.5 g/mol |
| Molecular Formula | C91H68F5NO22 |
| Exact Mass | 1621.415314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GVirAZSzp3Q |
|---|---|
| Name | CFAZBVPVTZVLIX-ZBHSRLBVSA-N |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C91H68F5NO22 |
| InChI | InChI=1S/C91H68F5NO22/c92-69-70(93)72(95)76(73(96)71(69)94)114-88(105)66(97-91(106)109-49-65-63-42-24-22-40-61(63)62-41-23-25-43-64(62)65)48-52-44-46-60(47-45-52)110-89-79(117-86(103)58-36-18-6-19-37-58)78(116-85(102)57-34-16-5-17-35-57)75(68(111-89)51-108-82(99)54-28-10-2-11-29-54)119-90-80(118-87(104)59-38-20-7-21-39-59)77(115-84(101)56-32-14-4-15-33-56)74(113-83(100)55-30-12-3-13-31-55)67(112-90)50-107-81(98)53-26-8-1-9-27-53/h1-47,65-68,74-75,77-80,89-90H,48-51H2,(H,97,106)/t66-,67-,68-,74-,75-,77+,78+,79-,80-,89+,90-/m0/s1 |
| InChIKey | CFAZBVPVTZVLIX-ZBHSRLBVSA-N |
| Literature Reference Author | K.J.JENSEN,M.MELDAL,K.BOCK |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,2119(1993) |
| Literature Reference DOI | 10.1039/p19930002119 |
| Molecular Weight | 1622.526 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU3387 |