| SpectraBase Compound ID | 2kAtanIVoZ6 |
|---|---|
| InChI | InChI=1S/C85H64F5NO22/c86-63-64(87)66(89)70(67(90)65(63)88)109-82(99)60(91-85(100)104-44-59-57-42-24-22-40-55(57)56-41-23-25-43-58(56)59)45-102-83-73(112-80(97)53-36-18-6-19-37-53)72(111-79(96)52-34-16-5-17-35-52)69(108-77(94)50-30-12-3-13-31-50)62(106-83)47-103-84-74(113-81(98)54-38-20-7-21-39-54)71(110-78(95)51-32-14-4-15-33-51)68(107-76(93)49-28-10-2-11-29-49)61(105-84)46-101-75(92)48-26-8-1-9-27-48/h1-43,59-62,68-69,71-74,83-84H,44-47H2,(H,91,100)/t60-,61+,62-,68+,69-,71-,72+,73+,74-,83+,84-/m1/s1 |
| InChIKey | XXSPTPPYOHMAEG-ZHJSYBLNSA-N |
| Mol Weight | 1546.4 g/mol |
| Molecular Formula | C85H64F5NO22 |
| Exact Mass | 1545.384013 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I0SY3RIOdI0 |
|---|---|
| Compound Number | 34 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C85H64F5NO22/c86-63-64(87)66(89)70(67(90)65(63)88)109-82(99)60(91-85(100)104-44-59-57-42-24-22-40-55(57)56-41-23-25-43-58(56)59)45-102-83-73(112-80(97)53-36-18-6-19-37-53)72(111-79(96)52-34-16-5-17-35-52)69(108-77(94)50-30-12-3-13-31-50)62(106-83)47-103-84-74(113-81(98)54-38-20-7-21-39-54)71(110-78(95)51-32-14-4-15-33-51)68(107-76(93)49-28-10-2-11-29-49)61(105-84)46-101-75(92)48-26-8-1-9-27-48/h1-43,59-62,68-69,71-74,83-84H,44-47H2,(H,91,100)/t60-,61+,62-,68+,69-,71-,72+,73+,74-,83+,84-/m1/s1 |
| InChIKey | XXSPTPPYOHMAEG-ZHJSYBLNSA-N |
| Literature Reference | J.CHEM.SOC.PERKIN-1,2883(1995) H.FRANZYK,M.MELDAL,H.PAULSEN,K.BOCK |
| Solvent | Chloroform-d |