| SpectraBase Compound ID | wPIpMPOMty |
|---|---|
| InChI | InChI=1S/C21H22N2O4/c24-16-12-8-23-7-1-4-18-5-6-20(19(16,25)9-18)21(12,17(18)23)11-2-3-13-15(14(11)22-20)27-10-26-13/h2-3,12,17,22,25H,1,4-10H2/t12-,17+,18-,19-,20+,21+/m1/s1 |
| InChIKey | WJLQBNHRNGNRLK-CZGDZDMQSA-N |
| Mol Weight | 366.42 g/mol |
| Molecular Formula | C21H22N2O4 |
| Exact Mass | 366.157957 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B2IXKzhSNlL |
|---|---|
| Name | Kopsinidine A |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H22N2O4 |
| InChI | InChI=1S/C21H22N2O4/c24-16-12-8-23-7-1-4-18-5-6-20(19(16,25)9-18)21(12,17(18)23)11-2-3-13-15(14(11)22-20)27-10-26-13/h2-3,12,17,22,25H,1,4-10H2/t12-,17+,18-,19-,20+,21+/m1/s1 |
| InChIKey | WJLQBNHRNGNRLK-CZGDZDMQSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0702234 |
| Molecular Weight | 366.417 g/mol |
| Optical Rotation | [a]D = -15 (c = 0.17, CHCl3) |
| Reported Formula | C21H22N2O4 |
| SMILES | N1[C@]23[C@@]4(C([C@]5(CN6CCC[C@@]([C@]6([C@@]35c3ccc5c(c13)OCO5)[H])(CC2)C4)[H])=O)O |
| SPLASH | splash10-014i-3095000000-01975df501270a54b4bd |
| Source of Spectrum | G4-70-1307-6 |
| Wiley ID | 1874621 |