| SpectraBase Compound ID | 2QUPEJLcrdm |
|---|---|
| InChI | InChI=1S/2C21H34N4O9S/c2*1-11(26)23-13(14(27)22-5)9-35-8-12-6-7-32-21(17(30)24-20(12,31)16(29)25-21)15(28)19(4)10-33-18(2,3)34-19/h2*12-13,15,28,31H,6-10H2,1-5H3,(H,22,27)(H,23,26)(H,24,30)(H,25,29)/t2*12?,13?,15?,19-,20+,21-/m00/s1 |
| InChIKey | JTFGZMMIECWLED-PQZOXRDPSA-N |
| Mol Weight | 1037.2 g/mol |
| Molecular Formula | C42H68N8O18S2 |
| Exact Mass | 1036.4093 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 470agcpneQS |
|---|---|
| Name | JTFGZMMIECWLED-PQZOXRDPSA-N |
| Compound Number | 15C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68N8O18S2 |
| InChI | InChI=1S/2C21H34N4O9S/c2*1-11(26)23-13(14(27)22-5)9-35-8-12-6-7-32-21(17(30)24-20(12,31)16(29)25-21)15(28)19(4)10-33-18(2,3)34-19/h2*12-13,15,28,31H,6-10H2,1-5H3,(H,22,27)(H,23,26)(H,24,30)(H,25,29)/t2*12?,13?,15?,19-,20+,21-/m00/s1 |
| InChIKey | JTFGZMMIECWLED-PQZOXRDPSA-N |
| Literature Reference Author | S.ABUZAR,H.KOHN |
| Literature Reference Citation | J.AM.CHEM.SOC.,112,3114(1990) |
| Literature Reference DOI | 10.1021/ja00164a036 |
| Molecular Weight | 1037.165 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU6598 |