| SpectraBase Compound ID | H0sX8i4neRn |
|---|---|
| InChI | InChI=1S/C22H28N2O6/c1-24-8-11(10-29-22-21(28)20(27)19(26)17(9-25)30-22)5-14-13-3-2-4-15-18(13)12(7-23-15)6-16(14)24/h2-5,7,14,16-17,19-23,25-28H,6,8-10H2,1H3/t14-,16-,17-,19+,20+,21-,22-/m1/s1 |
| InChIKey | IRVJJPBAMIVZKP-JIXCVZAJSA-N |
| Mol Weight | 416.47 g/mol |
| Molecular Formula | C22H28N2O6 |
| Exact Mass | 416.194737 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B2Pe43yC0uZ |
|---|---|
| Name | Elymoclavine-.beta.,D-galactoside |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28N2O6 |
| InChI | InChI=1S/C22H28N2O6/c1-24-8-11(10-29-22-21(28)20(27)19(26)17(9-25)30-22)5-14-13-3-2-4-15-18(13)12(7-23-15)6-16(14)24/h2-5,7,14,16-17,19-23,25-28H,6,8-10H2,1H3/t14-,16-,17-,19+,20+,21-,22-/m1/s1 |
| InChIKey | IRVJJPBAMIVZKP-JIXCVZAJSA-N |
| Molecular Weight | 416.474 g/mol |
| SMILES | [nH]1c2c3c([C@@]4([C@](N(CC(CO[C@]5([C@@]([C@]([C@]([C@@](CO)(O5)[H])(O)[H])(O)[H])(O)[H])[H])=C4)C)(Cc3c1)[H])[H])ccc2 |
| SPLASH | splash10-000i-0190100000-2348bafa8ade30b02d73 |
| Source of Spectrum | AT-33-7236-1 |
| Wiley ID | 852346 |