| SpectraBase Compound ID | DsJw3b6tUfj |
|---|---|
| InChI | InChI=1S/C55H52ClN3O10.2O.U/c56-39-20-21-46(60)45(32-39)59-55(63)42-31-36-10-2-4-14-41(36)51-50-40-13-3-1-9-35(40)19-22-47(50)66-27-23-64-24-28-67-48-17-7-11-37(52(48)61)33-57-43-15-5-6-16-44(43)58-34-38-12-8-18-49(53(38)62)68-29-25-65-26-30-69-54(42)51;;;/h1-4,7-14,17-22,31-34,43-44,60-62H,5-6,15-16,23-30H2,(H,59,63);;; |
| InChIKey | OVUUTMHBSLGDPA-UHFFFAOYSA-N |
| Mol Weight | 1220.5 g/mol |
| Molecular Formula | C55H52ClN3O12U |
| Exact Mass | 1219.374742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4pEqm918Yq |
|---|---|
| Name | DIASTEREOMER-#1 |
| Compound Number | 3C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H52ClN3O12U |
| InChI | InChI=1S/C55H52ClN3O10.2O.U/c56-39-20-21-46(60)45(32-39)59-55(63)42-31-36-10-2-4-14-41(36)51-50-40-13-3-1-9-35(40)19-22-47(50)66-27-23-64-24-28-67-48-17-7-11-37(52(48)61)33-57-43-15-5-6-16-44(43)58-34-38-12-8-18-49(53(38)62)68-29-25-65-26-30-69-54(42)51;;;/h1-4,7-14,17-22,31-34,43-44,60-62H,5-6,15-16,23-30H2,(H,59,63);;; |
| InChIKey | OVUUTMHBSLGDPA-UHFFFAOYSA-N |
| Literature Reference Author | A.M.REICHWEIN,W.VERBOOM,D.N.REINHOUDT |
| Literature Reference Citation | REC.TR.CH.P.-B.,112,595(1993) |
| Literature Reference DOI | 10.1002/recl.19931121106 |
| Molecular Weight | 1220.513 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWTS2515 |