| SpectraBase Compound ID | IXXubSCKa6j |
|---|---|
| InChI | InChI=1S/C43H52O4S4.ClHO4/c1-23-22-51-34-20-26(42(8,9)10)18-32(38(34)46)49-30-16-24(40(2,3)4)14-28(36(30)44)48-29-15-25(41(5,6)7)17-31(37(29)45)50-33-19-27(43(11,12)13)21-35(51)39(33)47-23;2-1(3,4)5/h14-21,23H,22H2,1-13H3,(H2-,44,45,46);(H,2,3,4,5) |
| InChIKey | MLFAAYADGDGNDO-UHFFFAOYSA-N |
| Mol Weight | 861.6 g/mol |
| Molecular Formula | C43H53ClO8S4 |
| Exact Mass | 860.231181 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | S8rQ1oJ0fe |
|---|---|
| Name | TCA-3*HCLO4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H53ClO8S4 |
| InChI | InChI=1S/C43H52O4S4.ClHO4/c1-23-22-51-34-20-26(42(8,9)10)18-32(38(34)46)49-30-16-24(40(2,3)4)14-28(36(30)44)48-29-15-25(41(5,6)7)17-31(37(29)45)50-33-19-27(43(11,12)13)21-35(51)39(33)47-23;2-1(3,4)5/h14-21,23H,22H2,1-13H3,(H2-,44,45,46);(H,2,3,4,5) |
| InChIKey | MLFAAYADGDGNDO-UHFFFAOYSA-N |
| Literature Reference Author | V.CSOKAI,A.GRUEN,B.BALAZS,G.TOTH,G.HORVATH,I.BITTER |
| Literature Reference Citation | ORG.LETTERS,6,477(2004) |
| Literature Reference DOI | 10.1021/ol0359315 |
| Molecular Weight | 861.582 g/mol |
| Sample ID | 34823 |
| Solvent | CDCl3 |