| SpectraBase Compound ID | 5aw9phIGRuM |
|---|---|
| InChI | InChI=1S/C45H48N8O10S/c1-26-23-52(43(57)49-39(26)55)37-20-33(48-41(51-42-46-18-19-64-42)47-22-35-34(54)21-38(62-35)53-24-27(2)40(56)50-44(53)58)36(63-37)25-61-45(28-8-6-5-7-9-28,29-10-14-31(59-3)15-11-29)30-12-16-32(60-4)17-13-30/h5-19,23-24,33-38,54H,20-22,25H2,1-4H3,(H,49,55,57)(H,50,56,58)(H2,46,47,48,51)/t33-,34+,35-,36+,37+,38-/m1/s1 |
| InChIKey | FPXLZSUWQYXYPJ-JEEYTNHRSA-N |
| Mol Weight | 893.0 g/mol |
| Molecular Formula | C45H48N8O10S |
| Exact Mass | 892.321411 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CC62lnMVkoy |
|---|---|
| Name | FPXLZSUWQYXYPJ-JEEYTNHRSA-N |
| Compound Number | 6I |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H48N8O10S |
| InChI | InChI=1S/C45H48N8O10S/c1-26-23-52(43(57)49-39(26)55)37-20-33(48-41(51-42-46-18-19-64-42)47-22-35-34(54)21-38(62-35)53-24-27(2)40(56)50-44(53)58)36(63-37)25-61-45(28-8-6-5-7-9-28,29-10-14-31(59-3)15-11-29)30-12-16-32(60-4)17-13-30/h5-19,23-24,33-38,54H,20-22,25H2,1-4H3,(H,49,55,57)(H,50,56,58)(H2,46,47,48,51)/t33-,34+,35-,36+,37+,38-/m1/s1 |
| InChIKey | FPXLZSUWQYXYPJ-JEEYTNHRSA-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 | 892.984 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP6726 |