| SpectraBase Compound ID | 66vfaegj4u2 |
|---|---|
| InChI | InChI=1S/C48H50ClN7O12S/c1-28-25-55(46(60)52-43(28)58)41-22-37(40(68-41)27-66-48(30-8-6-5-7-9-30,31-10-16-34(64-3)17-11-31)32-12-18-35(65-4)19-13-32)51-45(54-69(62,63)36-20-14-33(49)15-21-36)50-24-39-38(57)23-42(67-39)56-26-29(2)44(59)53-47(56)61/h5-21,25-26,37-42,57H,22-24,27H2,1-4H3,(H2,50,51,54)(H,52,58,60)(H,53,59,61)/t37-,38+,39-,40+,41+,42-/m1/s1 |
| InChIKey | LEINRNPJBWXEOJ-MTGOPFLASA-N |
| Mol Weight | 984.5 g/mol |
| Molecular Formula | C48H50ClN7O12S |
| Exact Mass | 983.292669 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9LGVEg6wr5d |
|---|---|
| Name | LEINRNPJBWXEOJ-MTGOPFLASA-N |
| Compound Number | 6D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H50ClN7O12S |
| InChI | InChI=1S/C48H50ClN7O12S/c1-28-25-55(46(60)52-43(28)58)41-22-37(40(68-41)27-66-48(30-8-6-5-7-9-30,31-10-16-34(64-3)17-11-31)32-12-18-35(65-4)19-13-32)51-45(54-69(62,63)36-20-14-33(49)15-21-36)50-24-39-38(57)23-42(67-39)56-26-29(2)44(59)53-47(56)61/h5-21,25-26,37-42,57H,22-24,27H2,1-4H3,(H2,50,51,54)(H,52,58,60)(H,53,59,61)/t37-,38+,39-,40+,41+,42-/m1/s1 |
| InChIKey | LEINRNPJBWXEOJ-MTGOPFLASA-N |
| Literature Reference Author | F.VANDENDRIESSCHE,A.VANAERSCHOT,M.VOORTMANS,G.JANSSEN,R.BUSS ON,A.VANOVERBEKE,W.V |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1567(1993) |
| Literature Reference DOI | 10.1039/p19930001567 |
| Molecular Weight | 984.478 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP6721 |