| SpectraBase Compound ID | Y487xHlD3Q |
|---|---|
| InChI | InChI=1S/C16H21Cl6N3O2S/c1-9(15(17,18)19)6-11(14(27)24-8-12-23-4-5-28-12)25(3)13(26)7-10(2)16(20,21)22/h4-5,9-11H,6-8H2,1-3H3,(H,24,27) |
| InChIKey | KDAYUPCSRRZKKN-UHFFFAOYSA-N |
| Mol Weight | 532.1 g/mol |
| Molecular Formula | C16H21Cl6N3O2S |
| Exact Mass | 528.948564 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2GDMvsbjvYg |
|---|---|
| Name | 13-DEMETHYLISODYSIDENIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H21Cl6N3O2S |
| InChI | InChI=1S/C16H21Cl6N3O2S/c1-9(15(17,18)19)6-11(14(27)24-8-12-23-4-5-28-12)25(3)13(26)7-10(2)16(20,21)22/h4-5,9-11H,6-8H2,1-3H3,(H,24,27) |
| InChIKey | KDAYUPCSRRZKKN-UHFFFAOYSA-N |
| Literature Reference Author | K.L.ERICKSON,R.J.WELLS |
| Literature Reference Citation | AUSTR.J.CHEM.,35,31(1982) |
| Literature Reference DOI | 10.1071/ch9820031 |
| Molecular Weight | 532.140 g/mol |
| Solvent | CDCl3:D2O |
| Source File Reference | UNIW22021 |