| SpectraBase Compound ID | HLCAsUpm3l5 |
|---|---|
| InChI | InChI=1S/C39H61F3N8O7S2/c1-25(2)27(47-36(54)35(50-43)39(40,41)42)18-17-26(3)19-22-58-23-29(37(55)57-4)46-33(53)16-8-6-12-21-44-31(51)14-7-5-11-20-45-32(52)15-10-9-13-30-34-28(24-59-30)48-38(56)49-34/h19,27-30,34H,1,5-18,20-24H2,2-4H3,(H,44,51)(H,45,52)(H,46,53)(H,47,54)(H2,48,49,56)/b26-19+/t27?,28-,29+,30-,34-/m1/s1 |
| InChIKey | FYXKQZVABSLJEJ-WNZSCZJVSA-N |
| Mol Weight | 875.1 g/mol |
| Molecular Formula | C39H61F3N8O7S2 |
| Exact Mass | 874.405673 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GUa3XSfeIoa |
|---|---|
| Name | FYXKQZVABSLJEJ-WNZSCZJVSA-N |
| Compound Number | UNDESIRED-ISOMER-OF-#2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H61F3N8O7S2 |
| InChI | InChI=1S/C39H61F3N8O7S2/c1-25(2)27(47-36(54)35(50-43)39(40,41)42)18-17-26(3)19-22-58-23-29(37(55)57-4)46-33(53)16-8-6-12-21-44-31(51)14-7-5-11-20-45-32(52)15-10-9-13-30-34-28(24-59-30)48-38(56)49-34/h19,27-30,34H,1,5-18,20-24H2,2-4H3,(H,44,51)(H,45,52)(H,46,53)(H,47,54)(H2,48,49,56)/b26-19+/t27?,28-,29+,30-,34-/m1/s1 |
| InChIKey | FYXKQZVABSLJEJ-WNZSCZJVSA-N |
| Literature Reference Author | T.A.KALE,M.D.DISTEFANO |
| Literature Reference Citation | ORG.LETTERS,5,609(2003) |
| Literature Reference DOI | 10.1021/ol026752a |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU49476 |