| SpectraBase Compound ID | AveAactAn4w |
|---|---|
| InChI | InChI=1S/C68H62N2O8P2S2/c1-65(2)47-37-39-67(65,57(71)41-47)43-81(73,74)69-79(49-23-9-5-10-24-49,50-25-11-6-12-26-50)63-61(59-53-31-19-17-21-45(53)33-35-55(59)77-63)62-60-54-32-20-18-22-46(54)34-36-56(60)78-64(62)80(51-27-13-7-14-28-51,52-29-15-8-16-30-52)70-82(75,76)44-68-40-38-48(42-58(68)72)66(68,3)4/h5-36,47-48H,37-44H2,1-4H3/t47-,48-,67+,68+/m1/s1 |
| InChIKey | GTAYEVXAQZFXDA-KOJFRLSZSA-N |
| Mol Weight | 1161.3 g/mol |
| Molecular Formula | C68H62N2O8P2S2 |
| Exact Mass | 1160.342283 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IewETNxOPXY |
|---|---|
| Name | GTAYEVXAQZFXDA-KOJFRLSZSA-N |
| Compound Number | 31A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H62N2O8P2S2 |
| InChI | InChI=1S/C68H62N2O8P2S2/c1-65(2)47-37-39-67(65,57(71)41-47)43-81(73,74)69-79(49-23-9-5-10-24-49,50-25-11-6-12-26-50)63-61(59-53-31-19-17-21-45(53)33-35-55(59)77-63)62-60-54-32-20-18-22-46(54)34-36-56(60)78-64(62)80(51-27-13-7-14-28-51,52-29-15-8-16-30-52)70-82(75,76)44-68-40-38-48(42-58(68)72)66(68,3)4/h5-36,47-48H,37-44H2,1-4H3/t47-,48-,67+,68+/m1/s1 |
| InChIKey | GTAYEVXAQZFXDA-KOJFRLSZSA-N |
| Literature Reference Author | N.G.ANDERSEN,M.PARVEZ,R.MCDONALD,B.A.KEAY |
| Literature Reference Citation | CAN.J.CHEM.,82,145(2004) |
| Literature Reference DOI | 10.1139/v03-173 |
| Solvent | CDCl3 |
| Source File Reference | UWVN27708 |