| SpectraBase Compound ID | AkhrbbUStDy |
|---|---|
| InChI | InChI=1S/C52H54N2O11S/c1-60-42-24-20-40(21-25-42)52(39-16-10-5-11-17-39,41-22-26-43(61-2)27-23-41)64-34-44-48(58)49(50(65-44)54-31-30-45(55)53-51(54)59)66-35-38(18-28-46(56)62-32-36-12-6-3-7-13-36)19-29-47(57)63-33-37-14-8-4-9-15-37/h3-17,20-27,30-31,38,44,48-50,58H,18-19,28-29,32-35H2,1-2H3,(H,53,55,59)/t44-,48-,49-,50-/m0/s1 |
| InChIKey | UNJBRPHHUGJQPB-ZJEDQRSRSA-N |
| Mol Weight | 915.1 g/mol |
| Molecular Formula | C52H54N2O11S |
| Exact Mass | 914.344832 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Agjd4pUlwV |
|---|---|
| Name | UNJBRPHHUGJQPB-ZJEDQRSRSA-N |
| Compound Number | 3B |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H54N2O11S |
| InChI | InChI=1S/C52H54N2O11S/c1-60-42-24-20-40(21-25-42)52(39-16-10-5-11-17-39,41-22-26-43(61-2)27-23-41)64-34-44-48(58)49(50(65-44)54-31-30-45(55)53-51(54)59)66-35-38(18-28-46(56)62-32-36-12-6-3-7-13-36)19-29-47(57)63-33-37-14-8-4-9-15-37/h3-17,20-27,30-31,38,44,48-50,58H,18-19,28-29,32-35H2,1-2H3,(H,53,55,59)/t44-,48-,49-,50-/m0/s1 |
| InChIKey | UNJBRPHHUGJQPB-ZJEDQRSRSA-N |
| Literature Reference Author | L.ZHU,P.S.LUKEMAN,J.W.CANARY,N.C.SEEMAN |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,10178(2003) |
| Literature Reference DOI | 10.1021/ja035186r |
| Molecular Weight | 915.068 g/mol |
| Sample ID | 35123 |
| Solvent | CDCl3 |