| SpectraBase Compound ID | Pc3TIXU870 |
|---|---|
| InChI | InChI=1S/C86H127Cl4N21O17/c87-65-22-5-1-18-60(65)55-125-83(121)106-69(26-9-13-36-91)78(116)101-45-41-96-74(112)32-50-110(51-33-75(113)97-42-46-102-79(117)70(27-10-14-37-92)107-84(122)126-56-61-19-2-6-23-66(61)88)49-17-30-73(82(120)100-40-31-64-54-95-59-105-64)111(52-34-76(114)98-43-47-103-80(118)71(28-11-15-38-93)108-85(123)127-57-62-20-3-7-24-67(62)89)53-35-77(115)99-44-48-104-81(119)72(29-12-16-39-94)109-86(124)128-58-63-21-4-8-25-68(63)90/h1-8,18-25,54,59,69-73H,9-17,26-53,55-58,91-94H2,(H,95,105)(H,96,112)(H,97,113)(H,98,114)(H,99,115)(H,100,120)(H,101,116)(H,102,117)(H,103,118)(H,104,119)(H,106,121)(H,107,122)(H,108,123)(H,109,124)/t69-,70-,71-,72+,73-/m0/s1 |
| InChIKey | GFCOITBEKWXVLK-JFDBRZAKSA-N |
| Mol Weight | 1868.9 g/mol |
| Molecular Formula | C86H127Cl4N21O17 |
| Exact Mass | 1865.847292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CleGM6gO7Ws |
|---|---|
| Name | GFCOITBEKWXVLK-JFDBRZAKSA-N |
| Compound Number | 3C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C86H127Cl4N21O17 |
| InChI | InChI=1S/C86H127Cl4N21O17/c87-65-22-5-1-18-60(65)55-125-83(121)106-69(26-9-13-36-91)78(116)101-45-41-96-74(112)32-50-110(51-33-75(113)97-42-46-102-79(117)70(27-10-14-37-92)107-84(122)126-56-61-19-2-6-23-66(61)88)49-17-30-73(82(120)100-40-31-64-54-95-59-105-64)111(52-34-76(114)98-43-47-103-80(118)71(28-11-15-38-93)108-85(123)127-57-62-20-3-7-24-67(62)89)53-35-77(115)99-44-48-104-81(119)72(29-12-16-39-94)109-86(124)128-58-63-21-4-8-25-68(63)90/h1-8,18-25,54,59,69-73H,9-17,26-53,55-58,91-94H2,(H,95,105)(H,96,112)(H,97,113)(H,98,114)(H,99,115)(H,100,120)(H,101,116)(H,102,117)(H,103,118)(H,104,119)(H,106,121)(H,107,122)(H,108,123)(H,109,124)/t69-,70-,71-,72+,73-/m0/s1 |
| InChIKey | GFCOITBEKWXVLK-JFDBRZAKSA-N |
| Literature Reference Author | P.POLCYN,P.IELINSKA,M.ZIMNICKA,A.TROC,P.KALICKI,J.SOLECKA,A. LASKOWSKA |
| Literature Reference Citation | MOLECULES,18,7120(2013) |
| Literature Reference DOI | 10.3390/molecules18067120 |
| Molecular Weight | 1868.897 g/mol |
| Solvent | Unknown |
| Source File Reference | UWBT9485 |