| SpectraBase Compound ID | FUmeNWem8KN |
|---|---|
| InChI | InChI=1S/C21H34N2O6S/c1-14(2)11-17(21(26)29-5)22-13-18(24)20(25)19(15(3)4)23(30(22,27)28)12-16-9-7-6-8-10-16/h6-10,14-15,17-20,24-25H,11-13H2,1-5H3/t17-,18+,19-,20+/m0/s1 |
| InChIKey | JEPFQGNTTQMAEY-ZGXWSNOMSA-N |
| Mol Weight | 442.6 g/mol |
| Molecular Formula | C21H34N2O6S |
| Exact Mass | 442.213758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CDvdmhjVTTs |
|---|---|
| Name | MAJOR-ISOMER |
| Compound Number | 3B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H34N2O6S |
| InChI | InChI=1S/C21H34N2O6S/c1-14(2)11-17(21(26)29-5)22-13-18(24)20(25)19(15(3)4)23(30(22,27)28)12-16-9-7-6-8-10-16/h6-10,14-15,17-20,24-25H,11-13H2,1-5H3/t17-,18+,19-,20+/m0/s1 |
| InChIKey | JEPFQGNTTQMAEY-ZGXWSNOMSA-N |
| Literature Reference Author | M.D.MCREYNOLDS,K.T.SPROTT,P.R.HANSON |
| Literature Reference Citation | ORG.LETTERS,4,4673(2002) |
| Literature Reference DOI | 10.1021/ol027074v |
| Molecular Weight | 442.571 g/mol |
| Sample ID | 33533 |
| Solvent | CDCl3 |