| SpectraBase Compound ID | 5JSedPVyJfN |
|---|---|
| InChI | InChI=1S/C46H53N7O11SSi/c1-46(2,3)66(30-15-9-5-10-16-30,31-17-11-6-12-18-31)62-23-20-34-33(26-65(60,61)24-21-35-32(25-54)38(56)43(64-35)52-22-19-36(55)50-45(52)59)39(57)44(63-34)53-28-49-37-40(47-27-48-41(37)53)51-42(58)29-13-7-4-8-14-29/h4-19,22,27-28,32-35,38-39,43-44,54,56-57H,20-21,23-26H2,1-3H3,(H,50,55,59)(H,47,48,51,58)/t32-,33+,34+,35-,38-,39+,43-,44+/m1/s1 |
| InChIKey | QYXDDQKHPKXGIV-KNZWGOQWSA-N |
| Mol Weight | 940.1 g/mol |
| Molecular Formula | C46H53N7O11SSi |
| Exact Mass | 939.329303 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2vmd3WUzAt0 |
|---|---|
| Name | QYXDDQKHPKXGIV-KNZWGOQWSA-N |
| Compound Number | 36 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H53N7O11SSi |
| InChI | InChI=1S/C46H53N7O11SSi/c1-46(2,3)66(30-15-9-5-10-16-30,31-17-11-6-12-18-31)62-23-20-34-33(26-65(60,61)24-21-35-32(25-54)38(56)43(64-35)52-22-19-36(55)50-45(52)59)39(57)44(63-34)53-28-49-37-40(47-27-48-41(37)53)51-42(58)29-13-7-4-8-14-29/h4-19,22,27-28,32-35,38-39,43-44,54,56-57H,20-21,23-26H2,1-3H3,(H,50,55,59)(H,47,48,51,58)/t32-,33+,34+,35-,38-,39+,43-,44+/m1/s1 |
| InChIKey | QYXDDQKHPKXGIV-KNZWGOQWSA-N |
| Literature Reference Author | C.RICHERT,A.L.ROUGHTON,S.A.BENNER |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,4518(1996) |
| Literature Reference DOI | 10.1021/ja952322m |
| Molecular Weight | 940.113 g/mol |
| Sample ID | 57107 |
| Solvent | CDCl3:CD3OD:D2O=4:1:SAT |