| SpectraBase Compound ID | 73QpBRCp7Er |
|---|---|
| InChI | InChI=1S/C42H50O4S4/c1-39(2,3)23-15-27-35(43)29(17-23)48-31-19-25(41(7,8)9)21-33(37(31)45)50-14-13-46-38-32(20-26(22-34(38)50)42(10,11)12)49-30-18-24(40(4,5)6)16-28(47-27)36(30)44/h15-22H,13-14H2,1-12H3,(H2-,43,44,45) |
| InChIKey | AZXAEUZYVZOCHP-UHFFFAOYSA-N |
| Mol Weight | 747.1 g/mol |
| Molecular Formula | C42H50O4S4 |
| Exact Mass | 746.259195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1VqQOwTaRRU |
|---|---|
| Name | TCA-1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H50O4S4 |
| InChI | InChI=1S/C42H50O4S4/c1-39(2,3)23-15-27-35(43)29(17-23)48-31-19-25(41(7,8)9)21-33(37(31)45)50-14-13-46-38-32(20-26(22-34(38)50)42(10,11)12)49-30-18-24(40(4,5)6)16-28(47-27)36(30)44/h15-22H,13-14H2,1-12H3,(H2-,43,44,45) |
| InChIKey | AZXAEUZYVZOCHP-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 | 747.097 g/mol |
| Sample ID | 34822 |
| Solvent | CDCl3 |