![SECO-UA-[ACETONIDE]-UB-PENTAFLUOROPHENYL-CRYPTOPHYCIN-52](/api/spectrum/A8wwEyhMJel/structure.png?h=300&w=458 "SECO-UA-[ACETONIDE]-UB-PENTAFLUOROPHENYL-CRYPTOPHYCIN-52")
| SpectraBase Compound ID | EwiSaT8oo1u |
|---|---|
| InChI | InChI=1S/C55H58Cl3F5N2O11/c1-29(2)24-40(74-51(69)53(4,5)27-64-52(70)71-26-37-34-20-13-11-18-32(34)33-19-12-14-21-35(33)37)50(68)73-39(30(3)47-48(76-54(6,7)75-47)31-16-9-8-10-17-31)22-15-23-41(66)65-38(49(67)72-28-55(56,57)58)25-36-42(59)44(61)46(63)45(62)43(36)60/h8-21,23,29-30,37-40,47-48H,22,24-28H2,1-7H3,(H,64,70)(H,65,66)/b23-15+/t30-,38+,39-,40-,47+,48+/m0/s1 |
| InChIKey | CEKRTIWZNDTTGA-PCOAKFJHSA-N |
| Mol Weight | 1124.4 g/mol |
| Molecular Formula | C55H58Cl3F5N2O11 |
| Exact Mass | 1122.302635 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8wwEyhMJel |
|---|---|
| Name | SECO-UA-[ACETONIDE]-UB-PENTAFLUOROPHENYL-CRYPTOPHYCIN-52 |
| Compound Number | 29 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H58Cl3F5N2O11 |
| InChI | InChI=1S/C55H58Cl3F5N2O11/c1-29(2)24-40(74-51(69)53(4,5)27-64-52(70)71-26-37-34-20-13-11-18-32(34)33-19-12-14-21-35(33)37)50(68)73-39(30(3)47-48(76-54(6,7)75-47)31-16-9-8-10-17-31)22-15-23-41(66)65-38(49(67)72-28-55(56,57)58)25-36-42(59)44(61)46(63)45(62)43(36)60/h8-21,23,29-30,37-40,47-48H,22,24-28H2,1-7H3,(H,64,70)(H,65,66)/b23-15+/t30-,38+,39-,40-,47+,48+/m0/s1 |
| InChIKey | CEKRTIWZNDTTGA-PCOAKFJHSA-N |
| Literature Reference Author | C.WEIB,T.BOGNER,B.SAMMET,N.SEWALD |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,2060(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.231 |
| Solvent | CDCl3 |
| Source File Reference | UWIR11295 |