| SpectraBase Compound ID | GNzlFcEb2GY |
|---|---|
| InChI | InChI=1S/C34H54N4O18S2/c1-17(39)49-25-23(55-31(45-7)29(53-21(5)43)27(25)51-19(3)41)15-37-33(57)35-9-11-47-13-14-48-12-10-36-34(58)38-16-24-26(50-18(2)40)28(52-20(4)42)30(54-22(6)44)32(46-8)56-24/h23-32H,9-16H2,1-8H3,(H2,35,37,57)(H2,36,38,58)/t23-,24-,25-,26-,27+,28+,29+,30+,31+,32+/m0/s1 |
| InChIKey | PWHFZJIOMSFOQK-RJXPAYTHSA-N |
| Mol Weight | 870.9 g/mol |
| Molecular Formula | C34H54N4O18S2 |
| Exact Mass | 870.287453 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KUcgJgPnkRD |
|---|---|
| Name | PWHFZJIOMSFOQK-RJXPAYTHSA-N |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H54N4O18S2 |
| InChI | InChI=1S/C34H54N4O18S2/c1-17(39)49-25-23(55-31(45-7)29(53-21(5)43)27(25)51-19(3)41)15-37-33(57)35-9-11-47-13-14-48-12-10-36-34(58)38-16-24-26(50-18(2)40)28(52-20(4)42)30(54-22(6)44)32(46-8)56-24/h23-32H,9-16H2,1-8H3,(H2,35,37,57)(H2,36,38,58)/t23-,24-,25-,26-,27+,28+,29+,30+,31+,32+/m0/s1 |
| InChIKey | PWHFZJIOMSFOQK-RJXPAYTHSA-N |
| Literature Reference Author | M.WALTER,T.K.LINDHORST |
| Literature Reference Citation | MH.CHEM.,133,473(2002) |
| Literature Reference DOI | 10.1007/s007060200022 |
| Molecular Weight | 870.939 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWKP11538 |