| SpectraBase Compound ID | CBPsnpvD4uq |
|---|---|
| InChI | InChI=1S/C54H53N6O15PS/c1-34-31-59(53(65)57(2)51(34)63)49-30-44(46(73-49)32-70-54(36-13-9-6-10-14-36,37-15-21-40(68-3)22-16-37)38-17-23-41(69-4)24-18-38)75-76(77,74-42-25-19-39(20-26-42)60(66)67)71-33-45-43(61)29-48(72-45)58-28-27-47(56-52(58)64)55-50(62)35-11-7-5-8-12-35/h5-28,31,43-46,48-49,61H,29-30,32-33H2,1-4H3,(H,55,56,62,64)/t43-,44+,45+,46-,48+,49-,76?/m0/s1 |
| InChIKey | OLAADOCSGJRHIP-RSLQAUKQSA-N |
| Mol Weight | 1089.1 g/mol |
| Molecular Formula | C54H53N6O15PS |
| Exact Mass | 1088.302723 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Idze3xrlQ0W |
|---|---|
| Name | Fast-isomer |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1088.302723188 u |
| Formula | C54H53N6O15PS |
| InChI | InChI=1S/C54H53N6O15PS/c1-34-31-59(53(65)57(2)51(34)63)49-30-44(46(73-49)32-70-54(36-13-9-6-10-14-36,37-15-21-40(68-3)22-16-37)38-17-23-41(69-4)24-18-38)75-76(77,74-42-25-19-39(20-26-42)60(66)67)71-33-45-43(61)29-48(72-45)58-28-27-47(56-52(58)64)55-50(62)35-11-7-5-8-12-35/h5-28,31,43-46,48-49,61H,29-30,32-33H2,1-4H3,(H,55,56,62,64)/t43-,44+,45+,46-,48+,49-,76?/m0/s1 |
| InChIKey | OLAADOCSGJRHIP-RSLQAUKQSA-N |
| Molecular Weight | 1089.079 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(OP(=S)(OC[C@@]2([C@@](O)(C[C@@](O2)(N2C(=O)N=C(C=C2)NC(=O)C2=CC=CC=C2)[H])[H])[H])O[C@@]2(C[C@@](N3C(=O)N(C)C(=O)C(C)=C3)(O[C@]2(COC(C2=CC=CC=C2)(C2=CC=C(C=C2)OC)C2=CC=C(C=C2)OC)[H])[H])[H])C=C1 |