| SpectraBase Compound ID | 1CuN0jRtTWF |
|---|---|
| InChI | InChI=1S/C78H84N6O9/c85-70(79-61-31-7-19-46-16-1-4-28-52(46)61)82-73-34-10-22-49(23-11-35-73)76(73)88-64-40-55-56(41-65(64)89-76)58-43-67-69(93-78(91-67)51-26-14-38-75(78,39-15-27-51)84-72(87)81-63-33-9-21-48-18-3-6-30-54(48)63)45-60(58)59-44-68-66(42-57(55)59)90-77(92-68)50-24-12-36-74(77,37-13-25-50)83-71(86)80-62-32-8-20-47-17-2-5-29-53(47)62/h1-6,16-18,28-30,40-45,49-51,61-63H,7-15,19-27,31-39H2,(H2,79,82,85)(H2,80,83,86)(H2,81,84,87)/t49?,50?,51?,61-,62-,63+,73-,74-,75-,76?,77?,78?/m0/s1 |
| InChIKey | AILIMJCUXWEHKH-UGMAJLLISA-N |
| Mol Weight | 1249.6 g/mol |
| Molecular Formula | C78H84N6O9 |
| Exact Mass | 1248.629978 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 40GbL6Lzw3X |
|---|---|
| Name | AILIMJCUXWEHKH-UGMAJLLISA-N |
| Compound Number | 19C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H84N6O9 |
| InChI | InChI=1S/C78H84N6O9/c85-70(79-61-31-7-19-46-16-1-4-28-52(46)61)82-73-34-10-22-49(23-11-35-73)76(73)88-64-40-55-56(41-65(64)89-76)58-43-67-69(93-78(91-67)51-26-14-38-75(78,39-15-27-51)84-72(87)81-63-33-9-21-48-18-3-6-30-54(48)63)45-60(58)59-44-68-66(42-57(55)59)90-77(92-68)50-24-12-36-74(77,37-13-25-50)83-71(86)80-62-32-8-20-47-17-2-5-29-53(47)62/h1-6,16-18,28-30,40-45,49-51,61-63H,7-15,19-27,31-39H2,(H2,79,82,85)(H2,80,83,86)(H2,81,84,87)/t49?,50?,51?,61-,62-,63+,73-,74-,75-,76?,77?,78?/m0/s1 |
| InChIKey | AILIMJCUXWEHKH-UGMAJLLISA-N |
| Literature Reference Author | M.C.SCHOPOHL,A.FAUST,D.MIRK,R.FROEHLICH,O.KATAEVA,S.R.WALDVO GEL |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2987(2005) |
| Molecular Weight | 1249.560 g/mol |
| Sample ID | 29784 |
| Solvent | CDCl3 |