| SpectraBase Compound ID | BL21f4BCWKL |
|---|---|
| InChI | InChI=1S/C57H53N7O13/c1-37-31-62(56(69)64(52(37)65)53(66)38-13-7-4-8-14-38)51-30-46(77-54(67)39-15-9-5-10-16-39)47(75-51)32-72-36-73-45-29-50(61-28-27-49(60-55(61)68)63-35-58-34-59-63)76-48(45)33-74-57(40-17-11-6-12-18-40,41-19-23-43(70-2)24-20-41)42-21-25-44(71-3)26-22-42/h4-28,31,34-35,45-48,50-51H,29-30,32-33,36H2,1-3H3/t45-,46?,47-,48+,50+,51-/m0/s1 |
| InChIKey | ZFLXGUHGXRTVMX-MFVZNSMESA-N |
| Mol Weight | 1044.1 g/mol |
| Molecular Formula | C57H53N7O13 |
| Exact Mass | 1043.370135 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FGLSdkbsOwV |
|---|---|
| Name | ZFLXGUHGXRTVMX-MFVZNSMESA-N |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H53N7O13 |
| InChI | InChI=1S/C57H53N7O13/c1-37-31-62(56(69)64(52(37)65)53(66)38-13-7-4-8-14-38)51-30-46(77-54(67)39-15-9-5-10-16-39)47(75-51)32-72-36-73-45-29-50(61-28-27-49(60-55(61)68)63-35-58-34-59-63)76-48(45)33-74-57(40-17-11-6-12-18-40,41-19-23-43(70-2)24-20-41)42-21-25-44(71-3)26-22-42/h4-28,31,34-35,45-48,50-51H,29-30,32-33,36H2,1-3H3/t45-,46?,47-,48+,50+,51-/m0/s1 |
| InChIKey | ZFLXGUHGXRTVMX-MFVZNSMESA-N |
| Literature Reference Author | P.J.M.L.QUAEDFLIEG,G.A.VANDERMAREL,E.KUYL-YEHESKIELY,J.H.VAN BOOM |
| Literature Reference Citation | REC.TR.CH.P.-B.,110,435(1991) |
| Literature Reference DOI | 10.1002/recl.19911101008 |
| Molecular Weight | 1044.087 g/mol |
| Solvent | Unknown |
| Source File Reference | UWTS2375 |