| SpectraBase Compound ID | FOUMw6itB45 |
|---|---|
| InChI | InChI=1S/2C27H26N3O6PS2.Hg/c2*1-20(31)28-23-10-14-25(15-11-23)36-37(38,39)35-18-17-29(2)24-12-7-21(8-13-24)5-3-4-6-22-9-16-26(30(33)34)27(32)19-22;/h2*4,6-16,19,32H,17-18H2,1-2H3,(H,28,31)(H,38,39);/q;;+2/p-2/b2*6-4+; |
| InChIKey | XXQWMLAKZOJMIO-NVWHPRHESA-L |
| Mol Weight | 1365.8 g/mol |
| Molecular Formula | C54H50HgN6O12P2S4 |
| Exact Mass | 1366.155124 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I4BNByZ1JZc |
|---|---|
| Name | XXQWMLAKZOJMIO-NVWHPRHESA-L |
| Compound Number | 1*HG |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H50HgN6O12P2S4 |
| InChI | InChI=1S/2C27H26N3O6PS2.Hg/c2*1-20(31)28-23-10-14-25(15-11-23)36-37(38,39)35-18-17-29(2)24-12-7-21(8-13-24)5-3-4-6-22-9-16-26(30(33)34)27(32)19-22;/h2*4,6-16,19,32H,17-18H2,1-2H3,(H,28,31)(H,38,39);/q;;+2/p-2/b2*6-4+; |
| InChIKey | XXQWMLAKZOJMIO-NVWHPRHESA-L |
| Literature Reference Author | O.BRUEMMER,J.J.L.CLAIR,K.D.JANDA |
| Literature Reference Citation | ORG.LETTERS,1,415(1999) |
| Literature Reference DOI | 10.1021/ol990730f |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI26359 |