| SpectraBase Compound ID | 7U68LmZDLO1 |
|---|---|
| InChI | InChI=1S/C41H54N4O21S/c1-15-17(3)44-27(16(2)40(57)45(44)39(15)56)14-67-13-26(42-18(4)46)38(55)43-29-32(60-21(7)49)31(59-20(6)48)28(12-58-19(5)47)65-41(29)66-34-30(54)33(61-22(8)50)35(62-23(9)51)37(64-25(11)53)36(34)63-24(10)52/h26,28-37,41,54H,12-14H2,1-11H3,(H,42,46)(H,43,55)/t26-,28-,29-,30+,31-,32-,33+,34-,35-,36-,37+,41-/m0/s1 |
| InChIKey | NWSRGUKGEBTXIS-ZKWVEKKWSA-N |
| Mol Weight | 970.9 g/mol |
| Molecular Formula | C41H54N4O21S |
| Exact Mass | 970.300126 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lw2yOzVcDPV |
|---|---|
| Name | NWSRGUKGEBTXIS-ZKWVEKKWSA-N |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H54N4O21S |
| InChI | InChI=1S/C41H54N4O21S/c1-15-17(3)44-27(16(2)40(57)45(44)39(15)56)14-67-13-26(42-18(4)46)38(55)43-29-32(60-21(7)49)31(59-20(6)48)28(12-58-19(5)47)65-41(29)66-34-30(54)33(61-22(8)50)35(62-23(9)51)37(64-25(11)53)36(34)63-24(10)52/h26,28-37,41,54H,12-14H2,1-11H3,(H,42,46)(H,43,55)/t26-,28-,29-,30+,31-,32-,33+,34-,35-,36-,37+,41-/m0/s1 |
| InChIKey | NWSRGUKGEBTXIS-ZKWVEKKWSA-N |
| Literature Reference Author | G.M.NICHOLAS,P.KOVAC,C.A.BEWLEY |
| Literature Reference Citation | J.AM.CHEM.SOC.,124,3492(2002) |
| Literature Reference DOI | 10.1021/ja017891a |
| Molecular Weight | 970.954 g/mol |
| Sample ID | 33621 |
| Solvent | CDCl3 |