| SpectraBase Compound ID | 4bXF5UEePsJ |
|---|---|
| InChI | InChI=1S/C42H57N7O12S4/c1-5-58-33(51)19-15-28(40(56)60-7-3)46-32(50)23-62-26(11-9-24-14-18-31(64-24)38(54)47-29(41(57)61-8-4)16-20-34(52)59-6-2)21-45-37(53)30-17-13-25(63-30)10-12-27-22-44-36-35(65-27)39(55)49-42(43)48-36/h13-14,17-18,26-29H,5-12,15-16,19-23H2,1-4H3,(H,45,53)(H,46,50)(H,47,54)(H4,43,44,48,49,55)/t26-,27+,28?,29?/m1/s1 |
| InChIKey | WFOGXKGKTFDOOY-QUHHQKPUSA-N |
| Mol Weight | 980.2 g/mol |
| Molecular Formula | C42H57N7O12S4 |
| Exact Mass | 979.294805 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GDwlwCiijVt |
|---|---|
| Name | WFOGXKGKTFDOOY-QUHHQKPUSA-N |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H57N7O12S4 |
| InChI | InChI=1S/C42H57N7O12S4/c1-5-58-33(51)19-15-28(40(56)60-7-3)46-32(50)23-62-26(11-9-24-14-18-31(64-24)38(54)47-29(41(57)61-8-4)16-20-34(52)59-6-2)21-45-37(53)30-17-13-25(63-30)10-12-27-22-44-36-35(65-27)39(55)49-42(43)48-36/h13-14,17-18,26-29H,5-12,15-16,19-23H2,1-4H3,(H,45,53)(H,46,50)(H,47,54)(H4,43,44,48,49,55)/t26-,27+,28?,29?/m1/s1 |
| InChIKey | WFOGXKGKTFDOOY-QUHHQKPUSA-N |
| Literature Reference Author | B.C.M.POTTS,K.F.ALBIZATI,M.O.N.JOHNSON,J.P.JAMES |
| Literature Reference Citation | MAGN.RES.CHEM.,37,393(1999) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(199906)37:6<393::aid-mrc468>3.0.co;2-q |
| Molecular Weight | 980.194 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS23028 |