![TERT.-BUTYL-N-[2-(N-9-FLUORENYLMETHOXYCARBONYL)-AMINOETHYL]-N-[CARBOXYMETHYL-6-[2-(N,N'-BIS-Z-GUANIDINOETHOXY)]-PHENOXAZINE]-GLYCINATE](/api/spectrum/EXSDrYXry3W/structure.png?h=300&w=458 "TERT.-BUTYL-N-[2-(N-9-FLUORENYLMETHOXYCARBONYL)-AMINOETHYL]-N-[CARBOXYMETHYL-6-[2-(N,N'-BIS-Z-GUANIDINOETHOXY)]-PHENOXAZINE]-GLYCINATE")
| SpectraBase Compound ID | 4wqnxUQmFor |
|---|---|
| InChI | InChI=1S/C54H54N8O12/c1-54(2,3)74-46(64)31-61(27-25-56-51(66)72-34-41-39-21-12-10-19-37(39)38-20-11-13-22-40(38)41)45(63)30-62-29-44-48(58-50(62)65)57-47-42(23-14-24-43(47)73-44)69-28-26-55-49(59-52(67)70-32-35-15-6-4-7-16-35)60-53(68)71-33-36-17-8-5-9-18-36/h4-24,29,41H,25-28,30-34H2,1-3H3,(H,56,66)(H,57,58,65)(H2,55,59,60,67,68) |
| InChIKey | OTYWBABDMULGFW-UHFFFAOYSA-N |
| Mol Weight | 1007.1 g/mol |
| Molecular Formula | C54H54N8O12 |
| Exact Mass | 1006.386119 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EXSDrYXry3W |
|---|---|
| Name | TERT.-BUTYL-N-[2-(N-9-FLUORENYLMETHOXYCARBONYL)-AMINOETHYL]-N-[CARBOXYMETHYL-6-[2-(N,N'-BIS-Z-GUANIDINOETHOXY)]-PHENOXAZINE]-GLYCINATE |
| Compound Number | 8B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H54N8O12 |
| InChI | InChI=1S/C54H54N8O12/c1-54(2,3)74-46(64)31-61(27-25-56-51(66)72-34-41-39-21-12-10-19-37(39)38-20-11-13-22-40(38)41)45(63)30-62-29-44-48(58-50(62)65)57-47-42(23-14-24-43(47)73-44)69-28-26-55-49(59-52(67)70-32-35-15-6-4-7-16-35)60-53(68)71-33-36-17-8-5-9-18-36/h4-24,29,41H,25-28,30-34H2,1-3H3,(H,56,66)(H,57,58,65)(H2,55,59,60,67,68) |
| InChIKey | OTYWBABDMULGFW-UHFFFAOYSA-N |
| Literature Reference Author | C.AUSIN,J.A.ORTEGA,J.ROBLES,A.GRANDAS,E.PEDROSO |
| Literature Reference Citation | ORG.LETTERS,4,4073(2002) |
| Literature Reference DOI | 10.1021/ol026815p |
| Molecular Weight | 1007.069 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ25147 |