| SpectraBase Compound ID | FaRDtlUEcjL |
|---|---|
| InChI | InChI=1S/C42H56O4S3/c1-23(43)41-33(45-41)19-31-27-9-7-25-21-39(17-15-35(25,3)29(27)11-13-37(31,41)5)47-40(49-48-39)18-16-36(4)26(22-40)8-10-28-30(36)12-14-38(6)32(28)20-34-42(38,46-34)24(2)44/h21-22,27-34H,7-20H2,1-6H3/t27-,28-,29+,30+,31+,32+,33-,34-,35+,36+,37+,38+,39?,40?,41-,42-/m1/s1 |
| InChIKey | MVWDEOJENWSPPW-VKVQJMOTSA-N |
| Mol Weight | 721.1 g/mol |
| Molecular Formula | C42H56O4S3 |
| Exact Mass | 720.334074 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 | 7OjwOCJzthA |
|---|---|
| Name | MVWDEOJENWSPPW-VKVQJMOTSA-N |
| Compound Number | 5E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H56O4S3 |
| InChI | InChI=1S/C42H56O4S3/c1-23(43)41-33(45-41)19-31-27-9-7-25-21-39(17-15-35(25,3)29(27)11-13-37(31,41)5)47-40(49-48-39)18-16-36(4)26(22-40)8-10-28-30(36)12-14-38(6)32(28)20-34-42(38,46-34)24(2)44/h21-22,27-34H,7-20H2,1-6H3/t27-,28-,29+,30+,31+,32+,33-,34-,35+,36+,37+,38+,39?,40?,41-,42-/m1/s1 |
| InChIKey | MVWDEOJENWSPPW-VKVQJMOTSA-N |
| Literature Reference Author | N.M.KRSTIC,M.S.BJELAKOVIC,M.M.DABOVIC,V.D.PAVLOVIC |
| Literature Reference Citation | MOLECULES,15,3462(2010) |
| Literature Reference DOI | 10.3390/molecules15053462 |
| Molecular Weight | 721.084 g/mol |
| Sample ID | 70918 |
| Solvent | CDCl3 |